(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide

C11H17ClN2OS — CID 79013221

IUPAC(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-7(2)10(13)11(15)14(3)6-8-4-5-9(12)16-8/h4-5,7,10H,6,13H2,1-3H3/t10-/m1/s1
InChIKeySRNXBLMDPOAZHO-SNVBAGLBSA-N
MW260.79 g/mol
LogP2.34
Rot. Bonds4

About (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide

(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 79013221) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
PubChem CID79013221
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@@H](N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H17ClN2OS/c1-7(2)10(13)11(15)14(3)6-8-4-5-9(12)16-8/h4-5,7,10H,6,13H2,1-3H3/t10-/m1/s1
InChIKeySRNXBLMDPOAZHO-SNVBAGLBSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 78973111
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 60937566
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270973
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 77144571
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxy-N-methylpentanamide
CID 81083116
ethyl 2-[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-3,3-dimethylbutanoate
CID 116537844
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600
N-[(5-chlorothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62491611

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide (CID 79013221) is (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide is CC(C)[C@@H](N)C(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is SRNXBLMDPOAZHO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17ClN2OS/c1-7(2)10(13)11(15)14(3)6-8-4-5-9(12)16-8/h4-5,7,10H,6,13H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide?
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 260.79 g/mol, XLogP of 2.34, 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-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 79013221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).