1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine

C14H24N4O2S — CID 63259384

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESCc1nc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cn1C
InChIInChI=1S/C14H24N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18-8-5-12(6-9-18)13-4-3-7-15-13/h10,12-13,15H,3-9H2,1-2H3
InChIKeyOVNBGQPGDNZQFO-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.88
Rot. Bonds3

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine

1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine (PubChem CID 63259384) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
PubChem CID63259384
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine
SMILESCc1nc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cn1C
InChIInChI=1S/C14H24N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18-8-5-12(6-9-18)13-4-3-7-15-13/h10,12-13,15H,3-9H2,1-2H3
InChIKeyOVNBGQPGDNZQFO-UHFFFAOYSA-N
XLogP0.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-3,5-dimethylpiperidine
CID 20856403
4-methyl-1'-((1-methyl-1H-imidazol-4-yl)sulfonyl)-1,4'-bipiperidine
CID 118308389
2-(1,2-Dimethylimidazol-4-yl)sulfonyl-2-azaspiro[4.5]decane
CID 71997293
1-(1H-imidazol-5-ylsulfonyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 75452733
1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]piperidin-4-amine dihydrochloride
CID 165943498
1-[[1-(1,2-Dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]-4-ethylpiperazine
CID 50848046
4-[1-(1H-Imidazole-4-sulfonyl)pyrrolidin-3-YL]-N-methylpiperidine-1-carboxamide
CID 91910251
N-[1-(aminomethyl)cyclopentyl]-1-methylimidazole-4-sulfonamide
CID 62373927
N-(piperidin-2-ylmethyl)-1-propan-2-ylimidazole-4-sulfonamide
CID 86784600
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-propan-2-ylimidazole-4-sulfonamide
CID 86801792
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 100628334
N-[2-cyclohexyl-2-(dimethylamino)ethyl]-1H-imidazole-5-sulfonamide
CID 121523857

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine (CID 63259384) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine is Cc1nc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
The InChIKey is OVNBGQPGDNZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11-16-14(10-17(11)2)21(19,20)18-8-5-12(6-9-18)13-4-3-7-15-13/h10,12-13,15H,3-9H2,1-2H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine has a molecular weight of 312.44 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 63259384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).