2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide

C16H25N3O2S — CID 155796534

IUPAC2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1c2cccnc2CC12CCNCC2
InChIInChI=1S/C16H25N3O2S/c1-15(2,3)22(20,21)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16/h4-5,8,14,17,19H,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyJJAKOXVLFIRLSV-CQSZACIVSA-N
MW323.46 g/mol
LogP1.77
Rot. Bonds2

About 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide

2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide (PubChem CID 155796534) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide
PubChem CID155796534
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)N[C@@H]1c2cccnc2CC12CCNCC2
InChIInChI=1S/C16H25N3O2S/c1-15(2,3)22(20,21)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16/h4-5,8,14,17,19H,6-7,9-11H2,1-3H3/t14-/m1/s1
InChIKeyJJAKOXVLFIRLSV-CQSZACIVSA-N
XLogP1.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;trihydrochloride
CID 153482804
spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;dihydrochloride
CID 155165273
(R)-2-methyl-N-[(5S)-5,7,7-trideuteriospiro[cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfinamide
CID 162375032
2-methyl-N-[(1R)-spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]propane-2-sulfinamide
CID 156636998
tert-butyl (5R)-5-[[(R)-tert-butylsulfinyl]amino]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-carboxylate
CID 146482780
(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-[(5R)-1'-(8-iodoimidazo[1,2-c]pyrimidin-5-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 155184999
tert-butyl N-[(5S)-1'-(3-acetyl-6-amino-5-bromopyrazin-2-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]carbamate
CID 162383109
N-[(5S)-1'-(7-bromo-3-fluoro-6-methylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 174055634
(5S)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
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
sodium 5-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]pyrazine-2-thiolate
CID 176652528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide (CID 155796534) is 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)N[C@@H]1c2cccnc2CC12CCNCC2.
What is the InChIKey of 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide?
The InChIKey is JJAKOXVLFIRLSV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-15(2,3)22(20,21)19-14-12-5-4-8-18-13(12)11-16(14)6-9-17-10-7-16/h4-5,8,14,17,19H,6-7,9-11H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide?
2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide has a molecular weight of 323.46 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5S)-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-yl]propane-2-sulfonamide is sourced from PubChem (CID 155796534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).