N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine

C17H27NS — CID 66066013

IUPACN-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C17H27NS/c1-3-12-18-17(15-6-4-5-7-15)13-19-16-10-8-14(2)9-11-16/h8-11,15,17-18H,3-7,12-13H2,1-2H3
InChIKeyGQNRFCJMSHVJJZ-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.65
Rot. Bonds7

About N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine

N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine (PubChem CID 66066013) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
PubChem CID66066013
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C17H27NS/c1-3-12-18-17(15-6-4-5-7-15)13-19-16-10-8-14(2)9-11-16/h8-11,15,17-18H,3-7,12-13H2,1-2H3
InChIKeyGQNRFCJMSHVJJZ-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 104755082
N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66087010
N-[1-cyclohexyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755528
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
N-[1-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 113449496
N-[1-cyclohexyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]propan-1-amine
CID 104755425

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine (CID 66066013) is N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine is CCCNC(CSc1ccc(C)cc1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine?
The InChIKey is GQNRFCJMSHVJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-3-12-18-17(15-6-4-5-7-15)13-19-16-10-8-14(2)9-11-16/h8-11,15,17-18H,3-7,12-13H2,1-2H3.
What are the key properties of N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine?
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine has a molecular weight of 277.48 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 66066013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).