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

C17H25N5OS — CID 167048005

IUPAC2-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
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccc3nncn3c2CC12CCNCC2
InChIInChI=1S/C17H25N5OS/c1-16(2,3)24(23)21-15-12-4-5-14-20-19-11-22(14)13(12)10-17(15)6-8-18-9-7-17/h4-5,11,15,18,21H,6-10H2,1-3H3/t15-,24?/m1/s1
InChIKeyNPZUFTGILPQSJJ-GZAIGYLVSA-N
MW347.49 g/mol
LogP1.75
Rot. Bonds2

About 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

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 (PubChem CID 167048005) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167048005
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name2-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
SMILESCC(C)(C)S(=O)N[C@@H]1c2ccc3nncn3c2CC12CCNCC2
InChIInChI=1S/C17H25N5OS/c1-16(2,3)24(23)21-15-12-4-5-14-20-19-11-22(14)13(12)10-17(15)6-8-18-9-7-17/h4-5,11,15,18,21H,6-10H2,1-3H3/t15-,24?/m1/s1
InChIKeyNPZUFTGILPQSJJ-GZAIGYLVSA-N
XLogP1.75
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
(R)-N-[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 164743854
(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-[(1S)-6-(2-methoxyethylsulfanyl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 171454740
methyl 3-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]prop-2-ynoate
CID 171454761
sodium 5-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]pyrazine-2-thiolate
CID 176652528
tert-butyl (1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate;(1S)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 163922648
(R)-N-[(3R)-7-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl]-2-methylpropane-2-sulfinamide
CID 155774410
2-methyl-N-spiro[3H-furo[2,3-c]pyridine-2,4'-piperidine]-3-ylpropane-2-sulfinamide
CID 164743553
(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
CID 162375032
(1S)-1-(tert-butylsulfinylamino)spiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylic acid
CID 146485682
CID 158493976
CID 158493976

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)S(=O)N[C@@H]1c2ccc3nncn3c2CC12CCNCC2.
What is the InChIKey of 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?
The InChIKey is NPZUFTGILPQSJJ-GZAIGYLVSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-16(2,3)24(23)21-15-12-4-5-14-20-19-11-22(14)13(12)10-17(15)6-8-18-9-7-17/h4-5,11,15,18,21H,6-10H2,1-3H3/t15-,24?/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 347.49 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167048005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).