N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine

C15H21NS2 — CID 43737722

IUPACN-(2-cyclopentylsulfanylphenyl)thiolan-3-amine
SMILESc1ccc(SC2CCCC2)c(NC2CCSC2)c1
InChIInChI=1S/C15H21NS2/c1-2-6-13(5-1)18-15-8-4-3-7-14(15)16-12-9-10-17-11-12/h3-4,7-8,12-13,16H,1-2,5-6,9-11H2
InChIKeyQFYMCYCLYVLSBH-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.64
Rot. Bonds4

About N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine

N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine (PubChem CID 43737722) has the molecular formula C15H21NS2 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)thiolan-3-amine
PubChem CID43737722
Molecular FormulaC15H21NS2
Molecular Weight279.47 g/mol
Exact Mass279.11
IUPAC NameN-(2-cyclopentylsulfanylphenyl)thiolan-3-amine
SMILESc1ccc(SC2CCCC2)c(NC2CCSC2)c1
InChIInChI=1S/C15H21NS2/c1-2-6-13(5-1)18-15-8-4-3-7-14(15)16-12-9-10-17-11-12/h3-4,7-8,12-13,16H,1-2,5-6,9-11H2
InChIKeyQFYMCYCLYVLSBH-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine 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

N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]thiolan-3-amine
CID 43691344
N-[2-(trifluoromethylsulfanyl)phenyl]thian-3-amine
CID 62871791
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
N-(2,3-dichlorophenyl)thiolan-3-amine
CID 43209589
(3S)-N-(2-chlorophenyl)thian-3-amine
CID 94885671
N-(2-cyclopentylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936955
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
CID 107240241
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
N-(2-cyclopentylsulfanylphenyl)cyclobutanecarboxamide
CID 32562041
[2-(thian-3-ylamino)phenyl]methanol
CID 62873092
N-[(5-bromothiophen-2-yl)methyl]-2-cyclopentylsulfanylaniline
CID 43737743

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine (CID 43737722) is N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine is c1ccc(SC2CCCC2)c(NC2CCSC2)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine?
The InChIKey is QFYMCYCLYVLSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS2/c1-2-6-13(5-1)18-15-8-4-3-7-14(15)16-12-9-10-17-11-12/h3-4,7-8,12-13,16H,1-2,5-6,9-11H2.
What are the key properties of N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine?
N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)thiolan-3-amine is sourced from PubChem (CID 43737722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).