(R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide

C16H27N3O2S2 — CID 162383105

IUPAC(R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
SMILESCCOc1nc2c(s1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCNCC1)C2
InChIInChI=1S/C16H27N3O2S2/c1-5-21-14-18-11-10-16(6-8-17-9-7-16)13(12(11)22-14)19-23(20)15(2,3)4/h13,17,19H,5-10H2,1-4H3/t13-,23-/m1/s1
InChIKeyRJDYLWSWSABXAP-JCQPUDPBSA-N
MW357.55 g/mol
LogP2.56
Rot. Bonds4

About (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide (PubChem CID 162383105) has the molecular formula C16H27N3O2S2 and a molecular weight of 357.55 g/mol. Its IUPAC name is (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
PubChem CID162383105
Molecular FormulaC16H27N3O2S2
Molecular Weight357.55 g/mol
Exact Mass357.15
IUPAC Name(R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
SMILESCCOc1nc2c(s1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCNCC1)C2
InChIInChI=1S/C16H27N3O2S2/c1-5-21-14-18-11-10-16(6-8-17-9-7-16)13(12(11)22-14)19-23(20)15(2,3)4/h13,17,19H,5-10H2,1-4H3/t13-,23-/m1/s1
InChIKeyRJDYLWSWSABXAP-JCQPUDPBSA-N
XLogP2.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

tert-butyl-[[(6S)-2-(difluoromethyl)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]-oxidosulfanium
CID 175736614
tert-butyl-oxido-[[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]amino]sulfanium;2,2,2-trifluoroacetic acid
CID 176130464
tert-butyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-methoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 135337344
tert-butyl (4S)-4-[[(R)-tert-butylsulfinyl]amino]-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142433927
tert-butyl (6S)-6-(tert-butylsulfinylamino)spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 142434093
tert-butyl (6S)-6-[[(R)-tert-butylsulfinyl]amino]spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 148045745
(R)-2-methyl-N-[(6S)-spiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]propane-2-sulfinamide
CID 151205866
(R)-N-[(6S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide
CID 153560315
(R)-N-[(4S)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-yl]-2-methylpropane-2-sulfinamide
CID 155035612
tert-butyl (4S)-4-(tert-butylsulfinylamino)-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155095740
(6R)-6-(tert-butylsulfinylamino)-2-methylspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylic acid
CID 155164078
tert-butyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-1'-carboxylate
CID 155164146

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide (CID 162383105) is (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide is CCOc1nc2c(s1)[C@@H](N[S@](=O)C(C)(C)C)C1(CCNCC1)C2.
What is the InChIKey of (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is RJDYLWSWSABXAP-JCQPUDPBSA-N. The full InChI is InChI=1S/C16H27N3O2S2/c1-5-21-14-18-11-10-16(6-8-17-9-7-16)13(12(11)22-14)19-23(20)15(2,3)4/h13,17,19H,5-10H2,1-4H3/t13-,23-/m1/s1.
What are the key properties of (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 357.55 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(6S)-2-ethoxyspiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-6-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 162383105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).