(2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide

C10H16N2OS — CID 103930136

IUPAC(2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)8(11)9(13)12-7-4-5-14-6-7/h4-6,8H,11H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyPEHOEFGHDWNWKP-QMMMGPOBSA-N
MW212.32 g/mol
LogP2.06
Rot. Bonds2

About (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide

(2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide (PubChem CID 103930136) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide
PubChem CID103930136
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)Nc1ccsc1
InChIInChI=1S/C10H16N2OS/c1-10(2,3)8(11)9(13)12-7-4-5-14-6-7/h4-6,8H,11H2,1-3H3,(H,12,13)/t8-/m0/s1
InChIKeyPEHOEFGHDWNWKP-QMMMGPOBSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
(2S)-2-amino-N-thiophen-3-ylpentanamide
CID 107570019
2-methyl-3-oxo-3-(thiophen-3-ylamino)propanoic acid
CID 114898720
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916
methyl N-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 103928929
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670354
(2S)-2-amino-3,3-dimethyl-N-(4-pyridin-4-ylphenyl)butanamide
CID 175833956
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-4-pyridinyl)butanamide
CID 103930161

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide (CID 103930136) is (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide is CC(C)(C)[C@@H](N)C(=O)Nc1ccsc1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide?
The InChIKey is PEHOEFGHDWNWKP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2,3)8(11)9(13)12-7-4-5-14-6-7/h4-6,8H,11H2,1-3H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide?
(2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide has a molecular weight of 212.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-thiophen-3-ylbutanamide is sourced from PubChem (CID 103930136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).