1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride

C11H21ClN4O2S — CID 120723340

IUPAC1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
SMILESCCn1cnc(S(=O)(=O)NCC[C@H]2CCCN2)c1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-2-15-8-11(13-9-15)18(16,17)14-7-5-10-4-3-6-12-10;/h8-10,12,14H,2-7H2,1H3;1H/t10-;/m1./s1
InChIKeyWFYQSYVSCVDDMK-HNCPQSOCSA-N
MW308.84 g/mol
LogP0.75
Rot. Bonds6

About 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride

1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride (PubChem CID 120723340) has the molecular formula C11H21ClN4O2S and a molecular weight of 308.84 g/mol. Its IUPAC name is 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
PubChem CID120723340
Molecular FormulaC11H21ClN4O2S
Molecular Weight308.84 g/mol
Exact Mass308.11
IUPAC Name1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
SMILESCCn1cnc(S(=O)(=O)NCC[C@H]2CCCN2)c1.Cl
InChIInChI=1S/C11H20N4O2S.ClH/c1-2-15-8-11(13-9-15)18(16,17)14-7-5-10-4-3-6-12-10;/h8-10,12,14H,2-7H2,1H3;1H/t10-;/m1./s1
InChIKeyWFYQSYVSCVDDMK-HNCPQSOCSA-N
XLogP0.75
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(2-piperazin-1-ylethyl)imidazole-4-sulfonamide;dihydrochloride
CID 119966513
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 62541638
1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607858
1-methyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-sulfonamide
CID 114794170
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]triazole-4-sulfonamide;hydrochloride
CID 120876392
1-ethyl-N-pent-3-ynylimidazole-4-sulfonamide
CID 116645236
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 100628334
N-cyclopropyl-1-ethylimidazole-4-sulfonamide
CID 79373899
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-3-sulfonamide
CID 104972646
1-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106610075
3-[(1-ethylimidazol-4-yl)sulfonylamino]propanoic acid
CID 79373798
4-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972462

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride (CID 120723340) is 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride is CCn1cnc(S(=O)(=O)NCC[C@H]2CCCN2)c1.Cl.
What is the InChIKey of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride?
The InChIKey is WFYQSYVSCVDDMK-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H20N4O2S.ClH/c1-2-15-8-11(13-9-15)18(16,17)14-7-5-10-4-3-6-12-10;/h8-10,12,14H,2-7H2,1H3;1H/t10-;/m1./s1.
What are the key properties of 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride?
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride has a molecular weight of 308.84 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120723340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).