[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine

C12H16ClNS — CID 84801438

IUPAC[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine
SMILESNCC1(CCSc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClNS/c13-10-2-1-3-11(8-10)15-7-6-12(9-14)4-5-12/h1-3,8H,4-7,9,14H2
InChIKeyJMICLVXYDSTAEL-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.56
Rot. Bonds5

About [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine

[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine (PubChem CID 84801438) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine
PubChem CID84801438
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine
SMILESNCC1(CCSc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H16ClNS/c13-10-2-1-3-11(8-10)15-7-6-12(9-14)4-5-12/h1-3,8H,4-7,9,14H2
InChIKeyJMICLVXYDSTAEL-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
CID 79229107
2-[1-[(3-chlorophenyl)sulfanylmethyl]cyclopropyl]ethanamine
CID 65496907
2-[1-[(3-chlorophenyl)sulfanylmethyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071053
[4-ethyl-1-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 79224493
[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84790406
3-(3-chlorophenyl)sulfanyl-N'-hydroxypropanimidamide
CID 76947617
[1-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65391761
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-chloro-N-methylaniline
CID 84789895
2-amino-4-(3-chlorophenyl)sulfanylbutanenitrile
CID 63053572
N-[2-(3-chlorophenyl)sulfanylethyl]formamide
CID 91574653
2-[3-(3-chlorophenyl)sulfanylpropoxy]aniline
CID 62645754
N-[2-(3-chlorophenyl)sulfanylethyl]-N',N'-dimethylethane-1,2-diamine
CID 62647735

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine (CID 84801438) is [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine is NCC1(CCSc2cccc(Cl)c2)CC1.
What is the InChIKey of [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine?
The InChIKey is JMICLVXYDSTAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c13-10-2-1-3-11(8-10)15-7-6-12(9-14)4-5-12/h1-3,8H,4-7,9,14H2.
What are the key properties of [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine?
[1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine has a molecular weight of 241.79 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-chlorophenyl)sulfanylethyl]cyclopropyl]methanamine is sourced from PubChem (CID 84801438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).