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

C11H18N2OS — CID 42307464

IUPAC(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1cccs1
InChIInChI=1S/C11H18N2OS/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h4-6,8,10H,3,7,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1
InChIKeySTIAPJMSIZWWMT-WPRPVWTQSA-N
MW226.34 g/mol
LogP1.74
Rot. Bonds5

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

(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide (PubChem CID 42307464) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
PubChem CID42307464
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NCc1cccs1
InChIInChI=1S/C11H18N2OS/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h4-6,8,10H,3,7,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1
InChIKeySTIAPJMSIZWWMT-WPRPVWTQSA-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-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
CID 61174235
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
CID 119727138
3-methyl-2-(4-methylphenoxy)-N-(thiophen-2-ylmethyl)pentanamide
CID 174883197
(2S,3S)-2-amino-N-[(5-ethylthiophen-2-yl)methyl]-3-methylpentanamide
CID 103832951
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
ethyl 3-methyl-2-(thiophen-2-ylmethylamino)pentanoate
CID 61319361
2-amino-N-[(4-bromothiophen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119731588
3-methyl-1-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 61150339
(thiophen-2-ylmethylamino) 2-methylbutanoate
CID 23185815

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide (CID 42307464) is (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NCc1cccs1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide?
The InChIKey is STIAPJMSIZWWMT-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-8(2)10(12)11(14)13-7-9-5-4-6-15-9/h4-6,8,10H,3,7,12H2,1-2H3,(H,13,14)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(thiophen-2-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 (2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide is sourced from PubChem (CID 42307464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).