(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide

C13H22N2OS — CID 61174235

IUPAC(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-9(2)12(14)13(16)15-10(3)8-11-6-5-7-17-11/h5-7,9-10,12H,4,8,14H2,1-3H3,(H,15,16)/t9?,10?,12-/m0/s1
InChIKeyKHIDBJSUJPQPDI-CBINBANVSA-N
MW254.40 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide

(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide (PubChem CID 61174235) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
PubChem CID61174235
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)Cc1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-9(2)12(14)13(16)15-10(3)8-11-6-5-7-17-11/h5-7,9-10,12H,4,8,14H2,1-3H3,(H,15,16)/t9?,10?,12-/m0/s1
InChIKeyKHIDBJSUJPQPDI-CBINBANVSA-N
XLogP2.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 42307464
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
3-amino-2-methyl-3-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722719
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722730
N-[2-[(2-amino-3-methylpentanoyl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
CID 119727138
1-(thiophen-2-ylmethyl)-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 45497246
2-(propan-2-ylamino)-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 60842186
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
2-amino-3-methyl-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 43708998
2-(1-thiophen-2-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 55171571
3-amino-2-phenyl-N-(1-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119722711
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide (CID 61174235) is (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide is CCC(C)[C@H](N)C(=O)NC(C)Cc1cccs1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide?
The InChIKey is KHIDBJSUJPQPDI-CBINBANVSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-9(2)12(14)13(16)15-10(3)8-11-6-5-7-17-11/h5-7,9-10,12H,4,8,14H2,1-3H3,(H,15,16)/t9?,10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide?
(2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide has a molecular weight of 254.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)pentanamide is sourced from PubChem (CID 61174235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).