N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide

C7H12N4O2S — CID 130591651

IUPACN-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ncc[nH]1
InChIInChI=1S/C7H12N4O2S/c12-14(13,7-9-3-4-10-7)11-6-1-2-8-5-6/h3-4,6,8,11H,1-2,5H2,(H,9,10)
InChIKeyVFPCTPDXSLTBOF-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.95
Rot. Bonds3

About N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide

N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide (PubChem CID 130591651) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide
PubChem CID130591651
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC NameN-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1ncc[nH]1
InChIInChI=1S/C7H12N4O2S/c12-14(13,7-9-3-4-10-7)11-6-1-2-8-5-6/h3-4,6,8,11H,1-2,5H2,(H,9,10)
InChIKeyVFPCTPDXSLTBOF-UHFFFAOYSA-N
XLogP-0.95
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-sulfonamide
CID 71638162
N-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole-2-sulfonamide
CID 71645830
4-methyl-N-[(3R)-pyrrolidin-3-yl]pyrimidine-2-sulfonamide
CID 71638955
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119966914
2-methyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide
CID 104709475
N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 62380285
N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
CID 130747992
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
N-[(3S)-piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102693697
2,4,6-trichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686004
(1S)-1-pyridin-2-yl-N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 97162039

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide?
The IUPAC name of N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide (CID 130591651) is N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide.
What is the SMILES notation for N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide?
The canonical SMILES for N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide is O=S(=O)(NC1CCNC1)c1ncc[nH]1.
What is the InChIKey of N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide?
The InChIKey is VFPCTPDXSLTBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c12-14(13,7-9-3-4-10-7)11-6-1-2-8-5-6/h3-4,6,8,11H,1-2,5H2,(H,9,10).
What are the key properties of N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide?
N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide has a molecular weight of 216.27 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1H-imidazole-2-sulfonamide is sourced from PubChem (CID 130591651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).