N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine

C13H14ClNS — CID 117181451

IUPACN-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
SMILESClc1cccc2c(CNC3CCC3)csc12
InChIInChI=1S/C13H14ClNS/c14-12-6-2-5-11-9(8-16-13(11)12)7-15-10-3-1-4-10/h2,5-6,8,10,15H,1,3-4,7H2
InChIKeyGYQWKZKJSOHXMT-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.20
Rot. Bonds3

About N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine

N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine (PubChem CID 117181451) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
PubChem CID117181451
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC NameN-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
SMILESClc1cccc2c(CNC3CCC3)csc12
InChIInChI=1S/C13H14ClNS/c14-12-6-2-5-11-9(8-16-13(11)12)7-15-10-3-1-4-10/h2,5-6,8,10,15H,1,3-4,7H2
InChIKeyGYQWKZKJSOHXMT-UHFFFAOYSA-N
XLogP4.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
(7-chloro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155978335
N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117170813
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117185049
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
3-[(cyclopentylamino)methyl]-1-benzothiophen-4-amine
CID 117170816
7-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzothiophene
CID 117181603
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine (CID 117181451) is N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine is Clc1cccc2c(CNC3CCC3)csc12.
What is the InChIKey of N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The InChIKey is GYQWKZKJSOHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c14-12-6-2-5-11-9(8-16-13(11)12)7-15-10-3-1-4-10/h2,5-6,8,10,15H,1,3-4,7H2.
What are the key properties of N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine?
N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine has a molecular weight of 251.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117181451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).