9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol

C16H31NS — CID 105344264

IUPAC9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol
SMILESSCCCCCCCCCN1CC2CCCC2C1
InChIInChI=1S/C16H31NS/c18-12-7-5-3-1-2-4-6-11-17-13-15-9-8-10-16(15)14-17/h15-16,18H,1-14H2
InChIKeyLIHHIIYZUIDWDJ-UHFFFAOYSA-N
MW269.50 g/mol
LogP4.38
Rot. Bonds9

About 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol

9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol (PubChem CID 105344264) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol.

Molecular Properties

Compound Name9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol
PubChem CID105344264
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol
SMILESSCCCCCCCCCN1CC2CCCC2C1
InChIInChI=1S/C16H31NS/c18-12-7-5-3-1-2-4-6-11-17-13-15-9-8-10-16(15)14-17/h15-16,18H,1-14H2
InChIKeyLIHHIIYZUIDWDJ-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.50
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propane-1-thiol
CID 127003744
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-3-one
CID 106801549
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentane-1-thiol
CID 115562967
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)hexan-2-one
CID 115560576
9-(3,4-dimethoxypyrrolidin-1-yl)nonane-1-thiol
CID 103541661
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
CID 98010112
6-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N,N-diethylhexan-1-amine;hydrochloride
CID 54599705
3-[(2S,6R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]propane-1-thiol
CID 131038112
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 115562253
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexane-1-thiol
CID 102729068
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634

Frequently Asked Questions

What is the IUPAC name of 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol?
The IUPAC name of 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol (CID 105344264) is 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol.
What is the SMILES notation for 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol?
The canonical SMILES for 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol is SCCCCCCCCCN1CC2CCCC2C1.
What is the InChIKey of 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol?
The InChIKey is LIHHIIYZUIDWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NS/c18-12-7-5-3-1-2-4-6-11-17-13-15-9-8-10-16(15)14-17/h15-16,18H,1-14H2.
What are the key properties of 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol?
9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol has a molecular weight of 269.50 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol is sourced from PubChem (CID 105344264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).