2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine

C19H31NS — CID 79577348

IUPAC2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1ccc(C(C)C)cc1
InChIInChI=1S/C19H31NS/c1-4-13-20-19-7-5-6-17(19)12-14-21-18-10-8-16(9-11-18)15(2)3/h8-11,15,17,19-20H,4-7,12-14H2,1-3H3
InChIKeyQJXCPCOJLRUMGU-UHFFFAOYSA-N
MW305.53 g/mol
LogP5.46
Rot. Bonds8

About 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine

2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine (PubChem CID 79577348) has the molecular formula C19H31NS and a molecular weight of 305.53 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
PubChem CID79577348
Molecular FormulaC19H31NS
Molecular Weight305.53 g/mol
Exact Mass305.22
IUPAC Name2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCSc1ccc(C(C)C)cc1
InChIInChI=1S/C19H31NS/c1-4-13-20-19-7-5-6-17(19)12-14-21-18-10-8-16(9-11-18)15(2)3/h8-11,15,17,19-20H,4-7,12-14H2,1-3H3
InChIKeyQJXCPCOJLRUMGU-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-nitrophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79576656
2-[2-(3-chlorophenyl)sulfanylethyl]-N-propylcyclopentan-1-amine
CID 79577668
N-ethyl-2-[2-(4-fluorophenyl)sulfanylethyl]cyclopentan-1-amine
CID 79576525
N-ethyl-2-(2-naphthalen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79577184
N-propyl-2-(2-thiophen-2-ylsulfanylethyl)cyclopentan-1-amine
CID 79573057
N-propyl-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentan-1-amine
CID 79576785
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-N-propylcyclopentan-1-amine
CID 79577014
2-(2-cyclohexylsulfanylethyl)-N-propylcyclopentan-1-amine
CID 79576187
N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045
N,N-dimethyl-5-[2-[2-(propylamino)cyclopentyl]ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 79573661
2-[2-[cyclopropyl(methyl)amino]ethyl]-N-propylcyclopentan-1-amine
CID 79569650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine (CID 79577348) is 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCSc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
The InChIKey is QJXCPCOJLRUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NS/c1-4-13-20-19-7-5-6-17(19)12-14-21-18-10-8-16(9-11-18)15(2)3/h8-11,15,17,19-20H,4-7,12-14H2,1-3H3.
What are the key properties of 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine?
2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine has a molecular weight of 305.53 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylphenyl)sulfanylethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79577348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).