1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide

C10H16N4O3S — CID 114082404

IUPAC1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
SMILESCCc1ncc(S(=O)(=O)N2CCC(C(N)=O)C2)[nH]1
InChIInChI=1S/C10H16N4O3S/c1-2-8-12-5-9(13-8)18(16,17)14-4-3-7(6-14)10(11)15/h5,7H,2-4,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyVKZJXXURIKEWSC-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.53
Rot. Bonds4

About 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide

1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide (PubChem CID 114082404) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
PubChem CID114082404
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide
SMILESCCc1ncc(S(=O)(=O)N2CCC(C(N)=O)C2)[nH]1
InChIInChI=1S/C10H16N4O3S/c1-2-8-12-5-9(13-8)18(16,17)14-4-3-7(6-14)10(11)15/h5,7H,2-4,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyVKZJXXURIKEWSC-UHFFFAOYSA-N
XLogP-0.53
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-4-methylpiperidin-3-ol
CID 102959041
2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 64596839
3-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79170789
2-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561063
4-(2-chloroethoxy)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 82701864
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131902416
(1S,9S)-11-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118769637
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64577576
2-(bromomethyl)-1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidine
CID 80676618
2-[1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]piperidin-4-yl]-1H-benzimidazole
CID 131934260
(3R)-1-[(6-chloro-3-pyridinyl)sulfonyl]pyrrolidine-3-carboxamide;methane
CID 163464809
5-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)sulfonyl-2-ethyl-1H-imidazole
CID 121499650

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide (CID 114082404) is 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide is CCc1ncc(S(=O)(=O)N2CCC(C(N)=O)C2)[nH]1.
What is the InChIKey of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
The InChIKey is VKZJXXURIKEWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-2-8-12-5-9(13-8)18(16,17)14-4-3-7(6-14)10(11)15/h5,7H,2-4,6H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide?
1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide has a molecular weight of 272.33 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).