1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine

C17H27N5O2S — CID 91911692

IUPAC1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
SMILESCCCn1c(C)cnc1CC1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C17H27N5O2S/c1-4-7-22-14(2)10-18-16(22)9-15-6-5-8-21(11-15)25(23,24)17-12-20(3)13-19-17/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyNBAGWXLWIPFUEQ-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.98
Rot. Bonds6

About 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine

1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine (PubChem CID 91911692) has the molecular formula C17H27N5O2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
PubChem CID91911692
Molecular FormulaC17H27N5O2S
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
SMILESCCCn1c(C)cnc1CC1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C17H27N5O2S/c1-4-7-22-14(2)10-18-16(22)9-15-6-5-8-21(11-15)25(23,24)17-12-20(3)13-19-17/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyNBAGWXLWIPFUEQ-UHFFFAOYSA-N
XLogP1.98
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258937
1-(benzenesulfonyl)-3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]piperidine
CID 91911690
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91907991
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
5-methyl-N-[2-methyl-6-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842141
(3R)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708374
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708373
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 20958646
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine (CID 91911692) is 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine is CCCn1c(C)cnc1CC1CCCN(S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
The InChIKey is NBAGWXLWIPFUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S/c1-4-7-22-14(2)10-18-16(22)9-15-6-5-8-21(11-15)25(23,24)17-12-20(3)13-19-17/h10,12-13,15H,4-9,11H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine?
1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine has a molecular weight of 365.50 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 91911692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).