(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide

C11H18N2OS — CID 119325785

IUPAC(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
SMILESCC[C@H](N)C(=O)NC(C)(C)c1cccs1
InChIInChI=1S/C11H18N2OS/c1-4-8(12)10(14)13-11(2,3)9-6-5-7-15-9/h5-8H,4,12H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyXPTRBDLJSRGHRS-QMMMGPOBSA-N
MW226.34 g/mol
LogP1.84
Rot. Bonds4

About (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide

(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide (PubChem CID 119325785) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
PubChem CID119325785
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide
SMILESCC[C@H](N)C(=O)NC(C)(C)c1cccs1
InChIInChI=1S/C11H18N2OS/c1-4-8(12)10(14)13-11(2,3)9-6-5-7-15-9/h5-8H,4,12H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyXPTRBDLJSRGHRS-QMMMGPOBSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)propanamide
CID 119325779
2-amino-N-(2-thiophen-2-ylpropan-2-yl)propanamide;hydrochloride
CID 119325781
1,1-diethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870552
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
1,1-dimethyl-3-(2-thiophen-2-ylpropan-2-yl)urea
CID 110870551
2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 43709179
(2S)-2-amino-N-(2-methyl-1-thiophen-2-ylpropyl)butanamide
CID 79024579
2-amino-3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pentanamide;hydrochloride
CID 119787670
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
(2S)-2-amino-N-tert-butylbutanamide
CID 79025313
2-(4-fluorophenyl)-N-(2-thiophen-2-ylpropan-2-yl)acetamide
CID 110870545
2-amino-3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)propanamide;hydrochloride
CID 120989918

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide (CID 119325785) is (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide is CC[C@H](N)C(=O)NC(C)(C)c1cccs1.
What is the InChIKey of (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide?
The InChIKey is XPTRBDLJSRGHRS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-4-8(12)10(14)13-11(2,3)9-6-5-7-15-9/h5-8H,4,12H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide?
(2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-thiophen-2-ylpropan-2-yl)butanamide is sourced from PubChem (CID 119325785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).