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

C8H15N3O2S — CID 97177386

IUPAC(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
SMILESCCn1ccnc1[C@H](C)S(=O)(=O)NC
InChIInChI=1S/C8H15N3O2S/c1-4-11-6-5-10-8(11)7(2)14(12,13)9-3/h5-7,9H,4H2,1-3H3/t7-/m0/s1
InChIKeyFOVLQNFPMWNBLB-ZETCQYMHSA-N
MW217.29 g/mol
LogP0.51
Rot. Bonds4

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

(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide (PubChem CID 97177386) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
PubChem CID97177386
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
SMILESCCn1ccnc1[C@H](C)S(=O)(=O)NC
InChIInChI=1S/C8H15N3O2S/c1-4-11-6-5-10-8(11)7(2)14(12,13)9-3/h5-7,9H,4H2,1-3H3/t7-/m0/s1
InChIKeyFOVLQNFPMWNBLB-ZETCQYMHSA-N
XLogP0.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-(1-cyclopropylimidazol-2-yl)-N-methylethanesulfonamide
CID 97167953
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
3-(1-ethylimidazol-2-yl)-N-methylbutan-2-amine
CID 63199792
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 97177613
N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 71635426
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
CID 115622275
1-ethyl-2-propan-2-ylsulfanylimidazole
CID 117189957
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-amine
CID 63967917

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide?
The IUPAC name of (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide (CID 97177386) is (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide.
What is the SMILES notation for (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide?
The canonical SMILES for (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide is CCn1ccnc1[C@H](C)S(=O)(=O)NC.
What is the InChIKey of (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide?
The InChIKey is FOVLQNFPMWNBLB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-11-6-5-10-8(11)7(2)14(12,13)9-3/h5-7,9H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide?
(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide is sourced from PubChem (CID 97177386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).