(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide

C11H18N2OS — CID 79011600

IUPAC(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS/c1-8(2)10(12)11(14)13(3)7-9-5-4-6-15-9/h4-6,8,10H,7,12H2,1-3H3/t10-/m1/s1
InChIKeyREULNUMDXVLUGF-SNVBAGLBSA-N
MW226.34 g/mol
LogP1.69
Rot. Bonds4

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

(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 79011600) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID79011600
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1cccs1
InChIInChI=1S/C11H18N2OS/c1-8(2)10(12)11(14)13(3)7-9-5-4-6-15-9/h4-6,8,10H,7,12H2,1-3H3/t10-/m1/s1
InChIKeyREULNUMDXVLUGF-SNVBAGLBSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
2-amino-N-ethyl-3-methyl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271522
methyl 3-methyl-2-[methyl(thiophen-2-ylmethyl)carbamoyl]butanoate
CID 115188071
6-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)heptanamide
CID 65292813
2-amino-3-methoxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 81081754
(2R)-2-acetamido-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 7779914
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104906974
2-amino-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494038
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119271759
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide (CID 79011600) is (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is CC(C)[C@@H](N)C(=O)N(C)Cc1cccs1.
What is the InChIKey of (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is REULNUMDXVLUGF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(2)10(12)11(14)13(3)7-9-5-4-6-15-9/h4-6,8,10H,7,12H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide?
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 226.34 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 79011600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).