(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide

C12H20N2OS — CID 62844569

IUPAC(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ccsc1
InChIInChI=1S/C12H20N2OS/c1-4-8(2)11(13)12(15)14-9(3)10-5-6-16-7-10/h5-9,11H,4,13H2,1-3H3,(H,14,15)/t8-,9?,11-/m0/s1
InChIKeyBRDZHKFLVKBJBW-QCZWPSDZSA-N
MW240.37 g/mol
LogP2.30
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide (PubChem CID 62844569) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
PubChem CID62844569
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ccsc1
InChIInChI=1S/C12H20N2OS/c1-4-8(2)11(13)12(15)14-9(3)10-5-6-16-7-10/h5-9,11H,4,13H2,1-3H3,(H,14,15)/t8-,9?,11-/m0/s1
InChIKeyBRDZHKFLVKBJBW-QCZWPSDZSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-thiophen-3-ylethyl)pentanamide
CID 107569617
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
methyl 3-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62089111
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
3-amino-2-methyl-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 80552244
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide (CID 62844569) is (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NC(C)c1ccsc1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide?
The InChIKey is BRDZHKFLVKBJBW-QCZWPSDZSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-8(2)11(13)12(15)14-9(3)10-5-6-16-7-10/h5-9,11H,4,13H2,1-3H3,(H,14,15)/t8-,9?,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide has a molecular weight of 240.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(1-thiophen-3-ylethyl)pentanamide is sourced from PubChem (CID 62844569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).