(5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C13H19N3S — CID 174365009

IUPAC(5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1cnc2c(c1)[C@@H](N)C1(CCN(S)CC1)C2
InChIInChI=1S/C13H19N3S/c1-9-6-10-11(15-8-9)7-13(12(10)14)2-4-16(17)5-3-13/h6,8,12,17H,2-5,7,14H2,1H3/t12-/m1/s1
InChIKeyWCKSLQBUNNSVFB-GFCCVEGCSA-N
MW249.38 g/mol
LogP1.87
Rot. Bonds

About (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 174365009) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID174365009
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name(5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCc1cnc2c(c1)[C@@H](N)C1(CCN(S)CC1)C2
InChIInChI=1S/C13H19N3S/c1-9-6-10-11(15-8-9)7-13(12(10)14)2-4-16(17)5-3-13/h6,8,12,17H,2-5,7,14H2,1H3/t12-/m1/s1
InChIKeyWCKSLQBUNNSVFB-GFCCVEGCSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(5S)-5-amino-3-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-[3-chloro-2-(trifluoromethyl)-4-pyridinyl]-5-methylpyrazin-2-yl]ethanol
CID 155401042
(5S)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155623818
(5S)-1',2-dimethylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146553855
1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-3-methoxyspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485855
(7R)-1'-methylspiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
CID 167047831
(3S)-5-methyl-1'-propan-2-ylspiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
CID 174363933
3,5,6-trimethyl-7,8-dihydro-5H-1,6-naphthyridine
CID 169136210
(5S)-1'-(4-bromophenyl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146538401
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 139525640
(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169450652
(5R)-1'-propan-2-ylspiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 167307426
(5S)-1'-(3-fluoro-6-methyl-7-phenylpyrazolo[1,5-a]pyrazin-4-yl)spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 168944352

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 174365009) is (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1cnc2c(c1)[C@@H](N)C1(CCN(S)CC1)C2.
What is the InChIKey of (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is WCKSLQBUNNSVFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9-6-10-11(15-8-9)7-13(12(10)14)2-4-16(17)5-3-13/h6,8,12,17H,2-5,7,14H2,1H3/t12-/m1/s1.
What are the key properties of (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 249.38 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-1'-sulfanylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 174365009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).