(R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C20H32N2O2S2 — CID 171454740

IUPAC(R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCOCCSc1ccc2c(c1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCNCC1)C2
InChIInChI=1S/C20H32N2O2S2/c1-19(2,3)26(23)22-18-17-13-16(25-12-11-24-4)6-5-15(17)14-20(18)7-9-21-10-8-20/h5-6,13,18,21-22H,7-12,14H2,1-4H3/t18-,26-/m1/s1
InChIKeyAMCJCPCOFGZEHG-WXTAPIANSA-N
MW396.62 g/mol
LogP3.44
Rot. Bonds6

About (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 171454740) has the molecular formula C20H32N2O2S2 and a molecular weight of 396.62 g/mol. Its IUPAC name is (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
PubChem CID171454740
Molecular FormulaC20H32N2O2S2
Molecular Weight396.62 g/mol
Exact Mass396.19
IUPAC Name(R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
SMILESCOCCSc1ccc2c(c1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCNCC1)C2
InChIInChI=1S/C20H32N2O2S2/c1-19(2,3)26(23)22-18-17-13-16(25-12-11-24-4)6-5-15(17)14-20(18)7-9-21-10-8-20/h5-6,13,18,21-22H,7-12,14H2,1-4H3/t18-,26-/m1/s1
InChIKeyAMCJCPCOFGZEHG-WXTAPIANSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
methyl 3-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynoate
CID 171454761
tert-butyl (1S)-1-(tert-butylsulfinylamino)-6-cyanospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 142433818
(R)-N-[(1S)-6-(hydroxymethyl)-1'-(2,2,2-trifluoroacetyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 165153703
2-methyl-N-[(5S)-spiro[1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-4,4'-piperidine]-5-yl]propane-2-sulfinamide
CID 167048005
3-(tert-butylsulfanylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-5-carbonitrile
CID 167048203
methyl 6-bromo-3-[(1S)-1-(tert-butylsulfinylamino)-6-propan-2-ylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155035679
tert-butyl 1-[[(R)-tert-butylsulfinyl]amino]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 156751756
2-methyl-N-spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-ylpropane-2-sulfinamide
CID 164743553
N-[(1S)-1'-(4-amino-1-methyl-6-oxopyrimidin-2-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 155038829
(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
CID 162375032
(1R)-4'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine;(1S)-4'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine;4'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-amine;(R)-N-[(1R)-4'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl]-2-methylpropane-2-sulfinamide;(R)-N-[(1S)-4'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl]-2-methylpropane-2-sulfinamide;(R)-N-[4'-[5-(cyclopropylmethylsulfanyl)pyrazin-2-yl]spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-yl]-2-methylpropane-2-sulfinamide;trihydrochloride
CID 159936023

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 171454740) is (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is COCCSc1ccc2c(c1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCNCC1)C2.
What is the InChIKey of (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is AMCJCPCOFGZEHG-WXTAPIANSA-N. The full InChI is InChI=1S/C20H32N2O2S2/c1-19(2,3)26(23)22-18-17-13-16(25-12-11-24-4)6-5-15(17)14-20(18)7-9-21-10-8-20/h5-6,13,18,21-22H,7-12,14H2,1-4H3/t18-,26-/m1/s1.
What are the key properties of (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 396.62 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 171454740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).