N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine

C13H14ClNS — CID 117179726

IUPACN-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine
SMILESClc1ccc2cc(CNC3CCC3)sc2c1
InChIInChI=1S/C13H14ClNS/c14-10-5-4-9-6-12(16-13(9)7-10)8-15-11-2-1-3-11/h4-7,11,15H,1-3,8H2
InChIKeyNEMRDLUBHMWODE-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.20
Rot. Bonds3

About N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine

N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine (PubChem CID 117179726) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine
PubChem CID117179726
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC NameN-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine
SMILESClc1ccc2cc(CNC3CCC3)sc2c1
InChIInChI=1S/C13H14ClNS/c14-10-5-4-9-6-12(16-13(9)7-10)8-15-11-2-1-3-11/h4-7,11,15H,1-3,8H2
InChIKeyNEMRDLUBHMWODE-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-[(5-chloro-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 117176302
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
4-[(6-chloro-1-benzothiophen-2-yl)methoxy]phenol
CID 117179841
trans-(1S,3S)-N-(1-benzothiophen-2-ylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 97224328
N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
CID 117174185
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
N-(thieno[3,2-b]thiophen-5-ylmethyl)cyclopropanamine
CID 80744766
2-[(cyclopentylamino)methyl]-1-benzothiophen-7-amine
CID 117183191
N-(1-benzothiophen-2-ylmethyl)-3-methylcyclobutan-1-amine
CID 115694093
N-[[2-(4-chloro-2-fluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55181747
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine (CID 117179726) is N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine is Clc1ccc2cc(CNC3CCC3)sc2c1.
What is the InChIKey of N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine?
The InChIKey is NEMRDLUBHMWODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c14-10-5-4-9-6-12(16-13(9)7-10)8-15-11-2-1-3-11/h4-7,11,15H,1-3,8H2.
What are the key properties of N-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine?
N-[(6-chloro-1-benzothiophen-2-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-[(6-chloro-1-benzothiophen-2-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117179726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).