(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide

C15H24N2OS — CID 119803436

IUPAC(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
SMILESCc1c(NC(=O)[C@@H](N)CC(C)C)sc2c1CCCC2
InChIInChI=1S/C15H24N2OS/c1-9(2)8-12(16)14(18)17-15-10(3)11-6-4-5-7-13(11)19-15/h9,12H,4-8,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyYKVARNFFESJGFN-LBPRGKRZSA-N
MW280.44 g/mol
LogP3.25
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide

(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide (PubChem CID 119803436) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
PubChem CID119803436
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
SMILESCc1c(NC(=O)[C@@H](N)CC(C)C)sc2c1CCCC2
InChIInChI=1S/C15H24N2OS/c1-9(2)8-12(16)14(18)17-15-10(3)11-6-4-5-7-13(11)19-15/h9,12H,4-8,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyYKVARNFFESJGFN-LBPRGKRZSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide
CID 119803418
(2S)-2-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylpropanamide
CID 119334898
4-amino-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
CID 120563386
(2S)-2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-methylpentanamide
CID 119743841
4-amino-3-methoxy-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
CID 120593339
methyl 2-(2-aminobutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 61254585
2-amino-2-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide;hydrochloride
CID 119803433
methyl 2-[(2-amino-4-methoxybutanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 62475946
2-amino-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentanamide
CID 61260035
2-(cyclopropylmethylamino)-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 119803404
2-amino-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 110460122
ethyl 2-[2-(propylamino)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 10404881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide (CID 119803436) is (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide is Cc1c(NC(=O)[C@@H](N)CC(C)C)sc2c1CCCC2.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide?
The InChIKey is YKVARNFFESJGFN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-9(2)8-12(16)14(18)17-15-10(3)11-6-4-5-7-13(11)19-15/h9,12H,4-8,16H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide has a molecular weight of 280.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(3-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanamide is sourced from PubChem (CID 119803436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).