N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine

C14H17NS — CID 117185049

IUPACN-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
SMILESCc1ccc2scc(CNC3CCC3)c2c1
InChIInChI=1S/C14H17NS/c1-10-5-6-14-13(7-10)11(9-16-14)8-15-12-3-2-4-12/h5-7,9,12,15H,2-4,8H2,1H3
InChIKeyXAGRXVYWUWOOOQ-UHFFFAOYSA-N
MW231.36 g/mol
LogP3.85
Rot. Bonds3

About N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine

N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine (PubChem CID 117185049) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
PubChem CID117185049
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC NameN-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine
SMILESCc1ccc2scc(CNC3CCC3)c2c1
InChIInChI=1S/C14H17NS/c1-10-5-6-14-13(7-10)11(9-16-14)8-15-12-3-2-4-12/h5-7,9,12,15H,2-4,8H2,1H3
InChIKeyXAGRXVYWUWOOOQ-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopropylamino)methyl]-1-benzothiophen-5-ol
CID 117174646
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
1-[(5-methyl-1-benzothiophen-3-yl)methyl]azepane
CID 117185053
N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 82448124
2-[(cyclobutylamino)methyl]-5-methylbenzoic acid
CID 117220813
N-[(7-chloro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117181451
3-[(4-chlorophenoxy)methyl]-5-methyl-1-benzothiophene
CID 117185073
N-[(4-fluoro-1-benzothiophen-3-yl)methyl]cyclobutanamine
CID 117170813
3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-6-methylthiochromen-4-one
CID 7552698
N-[(1,6-dimethylindol-3-yl)methyl]cyclopentanamine
CID 117185629
N-[(2-amino-5-methylphenyl)methyl]-4-methylcycloheptan-1-amine
CID 114100496

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine (CID 117185049) is N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine is Cc1ccc2scc(CNC3CCC3)c2c1.
What is the InChIKey of N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine?
The InChIKey is XAGRXVYWUWOOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-10-5-6-14-13(7-10)11(9-16-14)8-15-12-3-2-4-12/h5-7,9,12,15H,2-4,8H2,1H3.
What are the key properties of N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine?
N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine has a molecular weight of 231.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1-benzothiophen-3-yl)methyl]cyclobutanamine is sourced from PubChem (CID 117185049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).