(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C13H19N5O2S — CID 95824669

IUPAC(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C13H19N5O2S/c1-10-6-15-16-13(10)11-4-3-5-18(7-11)21(19,20)12-8-17(2)9-14-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyRKMPWRKVQJLSJB-NSHDSACASA-N
MW309.39 g/mol
LogP1.02
Rot. Bonds3

About (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine

(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 95824669) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID95824669
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C13H19N5O2S/c1-10-6-15-16-13(10)11-4-3-5-18(7-11)21(19,20)12-8-17(2)9-14-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyRKMPWRKVQJLSJB-NSHDSACASA-N
XLogP1.02
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 110096443
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45178348
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
4-methyl-5-[(3S)-1-(2-methylphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 125005055

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 95824669) is (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is RKMPWRKVQJLSJB-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10-6-15-16-13(10)11-4-3-5-18(7-11)21(19,20)12-8-17(2)9-14-12/h6,8-9,11H,3-5,7H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 309.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 95824669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).