(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide

C8H15N3O2S — CID 97177613

IUPAC(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
SMILESCCNS(=O)(=O)[C@@H](C)c1nccn1C
InChIInChI=1S/C8H15N3O2S/c1-4-10-14(12,13)7(2)8-9-5-6-11(8)3/h5-7,10H,4H2,1-3H3/t7-/m0/s1
InChIKeyLPNGKORDYSJEDB-ZETCQYMHSA-N
MW217.29 g/mol
LogP0.42
Rot. Bonds4

About (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide

(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide (PubChem CID 97177613) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide.

Molecular Properties

Compound Name(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
PubChem CID97177613
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
SMILESCCNS(=O)(=O)[C@@H](C)c1nccn1C
InChIInChI=1S/C8H15N3O2S/c1-4-10-14(12,13)7(2)8-9-5-6-11(8)3/h5-7,10H,4H2,1-3H3/t7-/m0/s1
InChIKeyLPNGKORDYSJEDB-ZETCQYMHSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide
CID 71635426
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
N-ethyl-1-methylimidazole-2-sulfonamide
CID 130916931
(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
CID 97177386
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969
1-methyl-2-pentan-3-ylimidazole
CID 89261277
1-(1-methylimidazol-2-yl)butane-1-sulfonic acid
CID 118491862
N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
CID 103917729
N-[(1-methylimidazol-2-yl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 61315754
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436818
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]cyclopropanesulfonamide
CID 125436817

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide?
The IUPAC name of (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide (CID 97177613) is (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide.
What is the SMILES notation for (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide?
The canonical SMILES for (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide is CCNS(=O)(=O)[C@@H](C)c1nccn1C.
What is the InChIKey of (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide?
The InChIKey is LPNGKORDYSJEDB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-10-14(12,13)7(2)8-9-5-6-11(8)3/h5-7,10H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide?
(1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-1-(1-methylimidazol-2-yl)ethanesulfonamide is sourced from PubChem (CID 97177613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).