1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine

C20H27N3O2S — CID 91911690

IUPAC1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine
SMILESCc1cnc(CC2CCCN(S(=O)(=O)c3ccccc3)C2)n1CC1CC1
InChIInChI=1S/C20H27N3O2S/c1-16-13-21-20(23(16)15-17-9-10-17)12-18-6-5-11-22(14-18)26(24,25)19-7-3-2-4-8-19/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3
InChIKeyLRZRUHHKFJRSEQ-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.24
Rot. Bonds6

About 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine

1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine (PubChem CID 91911690) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine
PubChem CID91911690
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine
SMILESCc1cnc(CC2CCCN(S(=O)(=O)c3ccccc3)C2)n1CC1CC1
InChIInChI=1S/C20H27N3O2S/c1-16-13-21-20(23(16)15-17-9-10-17)12-18-6-5-11-22(14-18)26(24,25)19-7-3-2-4-8-19/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3
InChIKeyLRZRUHHKFJRSEQ-UHFFFAOYSA-N
XLogP3.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
3-[(1-methylimidazol-2-yl)methyl]-1-(3-methylphenyl)sulfonylpiperidine
CID 154796219
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
CID 91911692
6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine
CID 95847201
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
(3aS,6aR)-5-(benzenesulfonyl)-2-(cyclopentylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97401920
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-methyl-1-propan-2-ylimidazole
CID 91911685
1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106641
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine?
The IUPAC name of 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine (CID 91911690) is 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine is Cc1cnc(CC2CCCN(S(=O)(=O)c3ccccc3)C2)n1CC1CC1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine?
The InChIKey is LRZRUHHKFJRSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16-13-21-20(23(16)15-17-9-10-17)12-18-6-5-11-22(14-18)26(24,25)19-7-3-2-4-8-19/h2-4,7-8,13,17-18H,5-6,9-12,14-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine?
1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine has a molecular weight of 373.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 91911690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).