(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide

C9H15N3O2S — CID 97167953

IUPAC(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)[C@@H](C)c1nccn1C1CC1
InChIInChI=1S/C9H15N3O2S/c1-7(15(13,14)10-2)9-11-5-6-12(9)8-3-4-8/h5-8,10H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyXGCZEMKILANGQK-ZETCQYMHSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds4

About (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide

(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide (PubChem CID 97167953) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide
PubChem CID97167953
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)[C@@H](C)c1nccn1C1CC1
InChIInChI=1S/C9H15N3O2S/c1-7(15(13,14)10-2)9-11-5-6-12(9)8-3-4-8/h5-8,10H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyXGCZEMKILANGQK-ZETCQYMHSA-N
XLogP0.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-1-yl)ethane-1-sulfonamide
CID 115644278
1-[(1-Ethylimidazol-2-yl)methyl]-2-methyl-4-(3-methylsulfonylpropyl)piperazine
CID 56802168
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923976
4-(3-Methylimidazol-3-ium-1-yl)butane-1-sulfonic acid
CID 11290045
3-(1-Methyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate
CID 10465511
Starbld0028032
CID 10465512
1-Butyl-3-(4-sulfobutyl)-1H-imidazolium
CID 11475375
4-(1-Butyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 16069366
3-(3-Butylimidazol-1-ium-1-yl)propane-1-sulfonic acid
CID 44248949
1-(1-Butyl-3-imidazolio)propane-3-sulfonate
CID 47157790
4-(1-Methyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 58194021
1H-Imidazolium, 3-ethenyl-1-(3-sulfopropyl)-, inner salt
CID 59435292

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide?
The IUPAC name of (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide (CID 97167953) is (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide.
What is the SMILES notation for (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide?
The canonical SMILES for (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide is CNS(=O)(=O)[C@@H](C)c1nccn1C1CC1.
What is the InChIKey of (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide?
The InChIKey is XGCZEMKILANGQK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7(15(13,14)10-2)9-11-5-6-12(9)8-3-4-8/h5-8,10H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide?
(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 97167953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).