N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine

C16H24ClNOS — CID 104754287

IUPACN-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C16H24ClNOS/c1-2-10-18-16(13-6-3-4-7-13)12-20(19)15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3
InChIKeyOQGABUKRDRJLHI-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.01
Rot. Bonds7

About N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine

N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine (PubChem CID 104754287) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
PubChem CID104754287
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC NameN-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C16H24ClNOS/c1-2-10-18-16(13-6-3-4-7-13)12-20(19)15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3
InChIKeyOQGABUKRDRJLHI-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
2-(3-chlorophenyl)sulfinyl-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 104754280
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
5-(3-chlorophenyl)sulfinyl-N-propylpentan-2-amine
CID 64657988
N-[1-cyclopentyl-2-(2,5-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755214
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724
N-[2-(3-chlorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 63416041
N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64653330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine (CID 104754287) is N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine is CCCNC(CS(=O)c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
The InChIKey is OQGABUKRDRJLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-2-10-18-16(13-6-3-4-7-13)12-20(19)15-9-5-8-14(17)11-15/h5,8-9,11,13,16,18H,2-4,6-7,10,12H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine?
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine has a molecular weight of 313.89 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine is sourced from PubChem (CID 104754287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).