2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide

C14H18N2OS — CID 115186945

IUPAC2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1csc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-3-10(8-15)14(17)16(2)12-9-18-13-7-5-4-6-11(12)13/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyZTWDYVBNPONVDN-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.85
Rot. Bonds4

About 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide

2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide (PubChem CID 115186945) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
PubChem CID115186945
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)c1csc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-3-10(8-15)14(17)16(2)12-9-18-13-7-5-4-6-11(12)13/h4-7,9-10H,3,8,15H2,1-2H3
InChIKeyZTWDYVBNPONVDN-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-yl)-2-hydroxy-N-methylacetamide
CID 115139778
2-N-(1-benzothiophen-3-yl)-2-N-methylpropane-1,2-diamine
CID 117039948
N-(1-benzothiophen-3-yl)-N-methyl-2-(methylamino)acetamide
CID 115151908
4-[1-benzothiophen-3-yl(methyl)amino]butan-2-one
CID 115235591
2-(aminomethyl)-N-(3-bromophenyl)-N-methylbutanamide
CID 115186940
7-amino-1-(1-benzothiophen-3-yl)-5-ethylheptan-2-one
CID 116578159
methyl 2-(1-benzothiophen-3-yl)-2-(butan-2-ylamino)acetate
CID 62699825
2-[1-benzothiophen-3-yl(methyl)amino]-3-methylbutan-1-ol
CID 115137486
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
1-(1-benzothiophen-3-yl)ethanone;N,N-dimethylethanamine
CID 142071955
N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
N'-(1-benzothiophen-3-yl)-N,N'-dimethylmethanediamine
CID 115226761

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide (CID 115186945) is 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide is CCC(CN)C(=O)N(C)c1csc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide?
The InChIKey is ZTWDYVBNPONVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-10(8-15)14(17)16(2)12-9-18-13-7-5-4-6-11(12)13/h4-7,9-10H,3,8,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide?
2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide has a molecular weight of 262.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-benzothiophen-3-yl)-N-methylbutanamide is sourced from PubChem (CID 115186945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).