(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide

C13H22N2OS — CID 54954200

IUPAC(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
SMILESCc1ccc(C(C)NC(=O)[C@@H](N)CC(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-8(2)7-11(14)13(16)15-10(4)12-6-5-9(3)17-12/h5-6,8,10-11H,7,14H2,1-4H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyNMYFCMKSRVXOQB-DTIOYNMSSA-N
MW254.40 g/mol
LogP2.61
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide (PubChem CID 54954200) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
PubChem CID54954200
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
SMILESCc1ccc(C(C)NC(=O)[C@@H](N)CC(C)C)s1
InChIInChI=1S/C13H22N2OS/c1-8(2)7-11(14)13(16)15-10(4)12-6-5-9(3)17-12/h5-6,8,10-11H,7,14H2,1-4H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyNMYFCMKSRVXOQB-DTIOYNMSSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 62475602
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 61477715
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
(2S)-2-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 119898142
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79812423
(2S)-2-amino-4-methyl-N-(1-phenylethyl)pentanamide;hydrochloride
CID 119669721
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
3-amino-2,2,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 65269980
(2R)-2-amino-4-methyl-N-[(1S)-1-pyridin-4-ylethyl]pentanamide
CID 93096829
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide (CID 54954200) is (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide is Cc1ccc(C(C)NC(=O)[C@@H](N)CC(C)C)s1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide?
The InChIKey is NMYFCMKSRVXOQB-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-8(2)7-11(14)13(16)15-10(4)12-6-5-9(3)17-12/h5-6,8,10-11H,7,14H2,1-4H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.61, 5 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-[1-(5-methylthiophen-2-yl)ethyl]pentanamide is sourced from PubChem (CID 54954200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).