N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine

C16H23Cl2NS — CID 104755864

IUPACN-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C16H23Cl2NS/c1-2-9-19-16(12-5-3-4-6-12)11-20-13-7-8-14(17)15(18)10-13/h7-8,10,12,16,19H,2-6,9,11H2,1H3
InChIKeyLGSSLIJOHRWMJP-UHFFFAOYSA-N
MW332.34 g/mol
LogP5.64
Rot. Bonds7

About N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine

N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine (PubChem CID 104755864) has the molecular formula C16H23Cl2NS and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
PubChem CID104755864
Molecular FormulaC16H23Cl2NS
Molecular Weight332.34 g/mol
Exact Mass331.09
IUPAC NameN-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C16H23Cl2NS/c1-2-9-19-16(12-5-3-4-6-12)11-20-13-7-8-14(17)15(18)10-13/h7-8,10,12,16,19H,2-6,9,11H2,1H3
InChIKeyLGSSLIJOHRWMJP-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.34
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
N-[2-(3-bromophenyl)sulfanyl-1-cyclohexylethyl]propan-1-amine
CID 66160027
2-(3,4-dichlorophenyl)sulfanyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104755861
N-[2-[(5-chloro-2-pyridinyl)sulfanyl]-1-cyclohexylethyl]propan-1-amine
CID 104755834
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-cyclopropylethyl]propan-1-amine
CID 64629049
1-cyclohexyl-2-(3,4-dichlorophenyl)sulfanylethanamine
CID 104755863
N-[1-cyclopentyl-2-(2,4-difluorophenyl)sulfanylethyl]propan-1-amine
CID 104755082
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
CID 104755464
N-[1-cyclopentyl-2-(4-methylpyrimidin-2-yl)sulfanylethyl]propan-1-amine
CID 104755524
N-[2-(2,5-dichlorophenyl)sulfanyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104755215
N-[1-(3-methylcyclohexyl)-2-(3-methylphenyl)sulfanylethyl]propan-1-amine
CID 66087010

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine (CID 104755864) is N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine is CCCNC(CSc1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine?
The InChIKey is LGSSLIJOHRWMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NS/c1-2-9-19-16(12-5-3-4-6-12)11-20-13-7-8-14(17)15(18)10-13/h7-8,10,12,16,19H,2-6,9,11H2,1H3.
What are the key properties of N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine?
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine has a molecular weight of 332.34 g/mol, XLogP of 5.64, 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-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine is sourced from PubChem (CID 104755864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).