2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide

C11H18N2OS — CID 63246547

IUPAC2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-8(2)5-10(12)11(14)13-6-9-3-4-15-7-9/h3-4,7-8,10H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyWCTMXXBATBYACL-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.74
Rot. Bonds5

About 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide

2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide (PubChem CID 63246547) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
PubChem CID63246547
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1ccsc1
InChIInChI=1S/C11H18N2OS/c1-8(2)5-10(12)11(14)13-6-9-3-4-15-7-9/h3-4,7-8,10H,5-6,12H2,1-2H3,(H,13,14)
InChIKeyWCTMXXBATBYACL-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(thiophen-3-ylmethyl)butanamide
CID 79023085
2-amino-N-(thiophen-3-ylmethyl)butanediamide
CID 63246274
3-amino-2-methyl-3-sulfanylidene-N-(thiophen-3-ylmethyl)propanamide
CID 63243923
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
2,3-dimethyl-4-oxo-4-(thiophen-3-ylmethylamino)butanoic acid
CID 103498386
2-amino-N-[(4-bromophenyl)methyl]-4-methylpentanamide
CID 60731482
2-carbamothioyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 63243966
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
CID 104903741

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide (CID 63246547) is 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide is CC(C)CC(N)C(=O)NCc1ccsc1.
What is the InChIKey of 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide?
The InChIKey is WCTMXXBATBYACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)5-10(12)11(14)13-6-9-3-4-15-7-9/h3-4,7-8,10H,5-6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide?
2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide has a molecular weight of 226.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(thiophen-3-ylmethyl)pentanamide is sourced from PubChem (CID 63246547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).