N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride

C10H19ClN4O2S — CID 120714982

IUPACN-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2cn(C)cn2)C1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-11-9-4-3-5-14(6-9)17(15,16)10-7-13(2)8-12-10;/h7-9,11H,3-6H2,1-2H3;1H
InChIKeyZIPRUBANCMMCHZ-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.21
Rot. Bonds3

About N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride

N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120714982) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120714982
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC NameN-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(S(=O)(=O)c2cn(C)cn2)C1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-11-9-4-3-5-14(6-9)17(15,16)10-7-13(2)8-12-10;/h7-9,11H,3-6H2,1-2H3;1H
InChIKeyZIPRUBANCMMCHZ-UHFFFAOYSA-N
XLogP0.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-methylpiperidin-3-amine
CID 62536924
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 110096443
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
(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 N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride (CID 120714982) is N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride is CNC1CCCN(S(=O)(=O)c2cn(C)cn2)C1.Cl.
What is the InChIKey of N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is ZIPRUBANCMMCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-11-9-4-3-5-14(6-9)17(15,16)10-7-13(2)8-12-10;/h7-9,11H,3-6H2,1-2H3;1H.
What are the key properties of N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120714982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).