1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine

C12H19N3O2S — CID 71781104

IUPAC1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(C1CC1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C12H19N3O2S/c16-18(17,12-1-2-12)15-6-3-11(4-7-15)9-14-8-5-13-10-14/h5,8,10-12H,1-4,6-7,9H2
InChIKeyKSHMKDGLSNHMFT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.09
Rot. Bonds4

About 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine

1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine (PubChem CID 71781104) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine
PubChem CID71781104
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine
SMILESO=S(=O)(C1CC1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C12H19N3O2S/c16-18(17,12-1-2-12)15-6-3-11(4-7-15)9-14-8-5-13-10-14/h5,8,10-12H,1-4,6-7,9H2
InChIKeyKSHMKDGLSNHMFT-UHFFFAOYSA-N
XLogP1.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-Imidazol-1-ylhexane-1-sulfonic acid
CID 12870535
4-((1H-imidazol-1-yl)methyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 71781100
2-Isopropyl-1-[(1-mesyl-4-piperidyl)methyl]imidazole
CID 71781118
1-(2-(1H-imidazol-1-yl)ethyl)-4-(cyclohexylsulfonyl)piperazine
CID 71788620
N,N-dimethyl-4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidine-1-sulfonamide
CID 71800896
1-(cyclopropylsulfonyl)-4-(((1-methyl-1H-imidazol-2-yl)thio)methyl)piperidine
CID 71800903
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 71806315
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)propane-1-sulfonamide
CID 91629001
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]-1-(propylsulfonyl)piperidine
CID 91923576
1-Butyl-3-(4-sulfobutyl)-1H-imidazolium
CID 11475375
4-(1-Butyl-1H-imidazol-3-ium-3-yl)butane-1-sulfonate
CID 16069366
1-Hexyl-3-methylimidazolium methanesulfonate
CID 23636462

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The IUPAC name of 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine (CID 71781104) is 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine is O=S(=O)(C1CC1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine?
The InChIKey is KSHMKDGLSNHMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c16-18(17,12-1-2-12)15-6-3-11(4-7-15)9-14-8-5-13-10-14/h5,8,10-12H,1-4,6-7,9H2.
What are the key properties of 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine?
1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine has a molecular weight of 269.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-(imidazol-1-ylmethyl)piperidine is sourced from PubChem (CID 71781104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).