2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide

C11H20N4O3S — CID 125444414

IUPAC2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCCC[C@H](NC(=O)CNS(C)(=O)=O)c1nccn1C
InChIInChI=1S/C11H20N4O3S/c1-4-5-9(11-12-6-7-15(11)2)14-10(16)8-13-19(3,17)18/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyJCWLOMBBYZZHRX-VIFPVBQESA-N
MW288.37 g/mol
LogP-0.07
Rot. Bonds7

About 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide

2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 125444414) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide
PubChem CID125444414
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCCC[C@H](NC(=O)CNS(C)(=O)=O)c1nccn1C
InChIInChI=1S/C11H20N4O3S/c1-4-5-9(11-12-6-7-15(11)2)14-10(16)8-13-19(3,17)18/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,16)/t9-/m0/s1
InChIKeyJCWLOMBBYZZHRX-VIFPVBQESA-N
XLogP-0.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide?
The IUPAC name of 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide (CID 125444414) is 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide is CCC[C@H](NC(=O)CNS(C)(=O)=O)c1nccn1C.
What is the InChIKey of 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide?
The InChIKey is JCWLOMBBYZZHRX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-4-5-9(11-12-6-7-15(11)2)14-10(16)8-13-19(3,17)18/h6-7,9,13H,4-5,8H2,1-3H3,(H,14,16)/t9-/m0/s1.
What are the key properties of 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide?
2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 288.37 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 125444414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).