1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine

C14H21N5O2S — CID 122160449

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine
SMILESCc1nc(S(=O)(=O)N2CCC(c3ccn(C)n3)CC2)cn1C
InChIInChI=1S/C14H21N5O2S/c1-11-15-14(10-17(11)2)22(20,21)19-8-4-12(5-9-19)13-6-7-18(3)16-13/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyILAAQPHIRYFJJC-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.03
Rot. Bonds3

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine

1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine (PubChem CID 122160449) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine
PubChem CID122160449
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine
SMILESCc1nc(S(=O)(=O)N2CCC(c3ccn(C)n3)CC2)cn1C
InChIInChI=1S/C14H21N5O2S/c1-11-15-14(10-17(11)2)22(20,21)19-8-4-12(5-9-19)13-6-7-18(3)16-13/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyILAAQPHIRYFJJC-UHFFFAOYSA-N
XLogP1.03
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine (CID 122160449) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine is Cc1nc(S(=O)(=O)N2CCC(c3ccn(C)n3)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is ILAAQPHIRYFJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-11-15-14(10-17(11)2)22(20,21)19-8-4-12(5-9-19)13-6-7-18(3)16-13/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 323.42 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-4-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 122160449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).