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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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).