[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine

C13H16ClNS — CID 117388041

IUPAC[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(SC3CC3)c(Cl)c2)CC1
InChIInChI=1S/C13H16ClNS/c14-11-7-9(13(8-15)5-6-13)1-4-12(11)16-10-2-3-10/h1,4,7,10H,2-3,5-6,8,15H2
InChIKeyJFRHRJBXEKOOPE-UHFFFAOYSA-N
MW253.80 g/mol
LogP3.58
Rot. Bonds4

About [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine

[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine (PubChem CID 117388041) has the molecular formula C13H16ClNS and a molecular weight of 253.80 g/mol. Its IUPAC name is [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine
PubChem CID117388041
Molecular FormulaC13H16ClNS
Molecular Weight253.80 g/mol
Exact Mass253.07
IUPAC Name[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(SC3CC3)c(Cl)c2)CC1
InChIInChI=1S/C13H16ClNS/c14-11-7-9(13(8-15)5-6-13)1-4-12(11)16-10-2-3-10/h1,4,7,10H,2-3,5-6,8,15H2
InChIKeyJFRHRJBXEKOOPE-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-propan-2-ylsulfanylphenyl)cyclopropyl]methanamine
CID 105424365
1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 117454686
2-chloro-1-cyclopropylsulfanyl-4-(1-isocyanatocyclopentyl)benzene
CID 117474103
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(3-bromo-4-chlorophenyl)cyclopropyl]methanamine
CID 83735493
[1-(3-chloro-4-fluorophenyl)cyclopropyl]methanamine;methanol
CID 143403316
[1-(4-butan-2-yl-3-chlorophenyl)cyclopropyl]methanamine
CID 117348294
trans-(1S,3S)-3-(aminomethyl)-3-(3,4-dichlorophenyl)cyclopentan-1-ol
CID 68674581
[1-(3-chloro-4-fluorophenyl)cyclobutyl]methanamine
CID 117304698
[1-(6-chloronaphthalen-2-yl)cyclopropyl]methanamine
CID 105490366
5-[1-(aminomethyl)cyclopropyl]-2-chloro-N,N-dimethylaniline
CID 117112205
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine (CID 117388041) is [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine is NCC1(c2ccc(SC3CC3)c(Cl)c2)CC1.
What is the InChIKey of [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine?
The InChIKey is JFRHRJBXEKOOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNS/c14-11-7-9(13(8-15)5-6-13)1-4-12(11)16-10-2-3-10/h1,4,7,10H,2-3,5-6,8,15H2.
What are the key properties of [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine?
[1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine has a molecular weight of 253.80 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-cyclopropylsulfanylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117388041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).