N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine

C15H15ClN2S — CID 81158961

IUPACN-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)ccc1Sc1ccncc1
InChIInChI=1S/C15H15ClN2S/c16-14-9-11(10-18-12-2-3-12)1-4-15(14)19-13-5-7-17-8-6-13/h1,4-9,12,18H,2-3,10H2
InChIKeyTXXJRHXYAAEYGV-UHFFFAOYSA-N
MW290.82 g/mol
LogP4.14
Rot. Bonds5

About N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine

N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine (PubChem CID 81158961) has the molecular formula C15H15ClN2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
PubChem CID81158961
Molecular FormulaC15H15ClN2S
Molecular Weight290.82 g/mol
Exact Mass290.06
IUPAC NameN-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
SMILESClc1cc(CNC2CC2)ccc1Sc1ccncc1
InChIInChI=1S/C15H15ClN2S/c16-14-9-11(10-18-12-2-3-12)1-4-15(14)19-13-5-7-17-8-6-13/h1,4-9,12,18H,2-3,10H2
InChIKeyTXXJRHXYAAEYGV-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-(3,4-dichlorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160799
N-[[3-chloro-4-(3,4-dimethylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160769
N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 114865036
N-[[4-(3-bromophenyl)sulfanyl-3-chlorophenyl]methyl]cyclopropanamine
CID 81160108
N-[[3-chloro-4-(3-methylphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159406
N-[[3-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 81160780
N-[[3-chloro-4-(2,4-difluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 81159829
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
2-chloro-4-[(cyclopropylamino)methyl]benzoic acid
CID 117219988
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55240024
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine (CID 81158961) is N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine is Clc1cc(CNC2CC2)ccc1Sc1ccncc1.
What is the InChIKey of N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
The InChIKey is TXXJRHXYAAEYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2S/c16-14-9-11(10-18-12-2-3-12)1-4-15(14)19-13-5-7-17-8-6-13/h1,4-9,12,18H,2-3,10H2.
What are the key properties of N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine?
N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine has a molecular weight of 290.82 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 81158961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).