2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide

C16H22N2OS — CID 107471323

IUPAC2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)9-12(10-17)15(19)18-13-4-5-14-11(8-13)6-7-20-14/h4-8,12H,9-10,17H2,1-3H3,(H,18,19)
InChIKeyIIGWEEKDJSDBSL-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.85
Rot. Bonds4

About 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide (PubChem CID 107471323) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
PubChem CID107471323
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)9-12(10-17)15(19)18-13-4-5-14-11(8-13)6-7-20-14/h4-8,12H,9-10,17H2,1-3H3,(H,18,19)
InChIKeyIIGWEEKDJSDBSL-UHFFFAOYSA-N
XLogP3.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
4-amino-5-(1-benzothiophen-5-ylamino)-5-oxopentanoic acid
CID 64897152
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
3-(1-benzothiophen-5-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821596
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
(2R)-2-amino-N-(1-benzothiophen-5-yl)-2-phenylacetamide
CID 61179816
2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
CID 107769632
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
CID 3632850
5-(1-benzothiophen-5-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62935420

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide (CID 107471323) is 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide?
The InChIKey is IIGWEEKDJSDBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)9-12(10-17)15(19)18-13-4-5-14-11(8-13)6-7-20-14/h4-8,12H,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide has a molecular weight of 290.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).