9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol

C19H31NS — CID 105343948

IUPAC9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
SMILESSCCCCCCCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C19H31NS/c21-16-10-5-3-1-2-4-9-14-20-15-13-19(17-20)18-11-7-6-8-12-18/h6-8,11-12,19,21H,1-5,9-10,13-17H2
InChIKeyNXFXKGOMXHCQNE-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.14
Rot. Bonds10

About 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol

9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol (PubChem CID 105343948) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol.

Molecular Properties

Compound Name9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
PubChem CID105343948
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
SMILESSCCCCCCCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C19H31NS/c21-16-10-5-3-1-2-4-9-14-20-15-13-19(17-20)18-11-7-6-8-12-18/h6-8,11-12,19,21H,1-5,9-10,13-17H2
InChIKeyNXFXKGOMXHCQNE-UHFFFAOYSA-N
XLogP5.14
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.14
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-phenylpyrrolidin-1-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

6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
CID 62131389
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol?
The IUPAC name of 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol (CID 105343948) is 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol.
What is the SMILES notation for 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol?
The canonical SMILES for 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol is SCCCCCCCCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol?
The InChIKey is NXFXKGOMXHCQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c21-16-10-5-3-1-2-4-9-14-20-15-13-19(17-20)18-11-7-6-8-12-18/h6-8,11-12,19,21H,1-5,9-10,13-17H2.
What are the key properties of 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol?
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol has a molecular weight of 305.53 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol is sourced from PubChem (CID 105343948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).