(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide

C12H19ClN2OS — CID 93367881

IUPAC(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-3-4-5-10(14)12(16)15(2)8-9-6-7-11(13)17-9/h6-7,10H,3-5,8,14H2,1-2H3/t10-/m0/s1
InChIKeyVBYLKRGGBKKPNU-JTQLQIEISA-N
MW274.82 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide

(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide (PubChem CID 93367881) has the molecular formula C12H19ClN2OS and a molecular weight of 274.82 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
PubChem CID93367881
Molecular FormulaC12H19ClN2OS
Molecular Weight274.82 g/mol
Exact Mass274.09
IUPAC Name(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
SMILESCCCC[C@H](N)C(=O)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H19ClN2OS/c1-3-4-5-10(14)12(16)15(2)8-9-6-7-11(13)17-9/h6-7,10H,3-5,8,14H2,1-2H3/t10-/m0/s1
InChIKeyVBYLKRGGBKKPNU-JTQLQIEISA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.82
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxy-N-methylpentanamide
CID 81083116
(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-chlorothiophen-2-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81083115
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
N-[(5-chlorothiophen-2-yl)methyl]-2-(N'-hydroxycarbamimidoyl)-N-methylpentanamide
CID 76926115
2-amino-N-[(2-chlorophenyl)methyl]-N-methylhexanamide
CID 54869039
ethyl 2-[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]-3,3-dimethylbutanoate
CID 116537844
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbutanamide
CID 60938073
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-4-methoxybutanamide
CID 62473043
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide?
The IUPAC name of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide (CID 93367881) is (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide is CCCC[C@H](N)C(=O)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide?
The InChIKey is VBYLKRGGBKKPNU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19ClN2OS/c1-3-4-5-10(14)12(16)15(2)8-9-6-7-11(13)17-9/h6-7,10H,3-5,8,14H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide?
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide has a molecular weight of 274.82 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide is sourced from PubChem (CID 93367881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).