1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine

C13H23N3O2S — CID 121188649

IUPAC1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCCCCS(=O)(=O)N1CCCC(c2ccn(C)n2)C1
InChIInChI=1S/C13H23N3O2S/c1-3-4-10-19(17,18)16-8-5-6-12(11-16)13-7-9-15(2)14-13/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeyUJDNDMDPCHKDDS-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.73
Rot. Bonds5

About 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine

1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine (PubChem CID 121188649) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
PubChem CID121188649
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine
SMILESCCCCS(=O)(=O)N1CCCC(c2ccn(C)n2)C1
InChIInChI=1S/C13H23N3O2S/c1-3-4-10-19(17,18)16-8-5-6-12(11-16)13-7-9-15(2)14-13/h7,9,12H,3-6,8,10-11H2,1-2H3
InChIKeyUJDNDMDPCHKDDS-UHFFFAOYSA-N
XLogP1.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
CID 121188695
3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-amine
CID 129498573
3-(1-methylpyrazol-3-yl)-1-[2-(tetrazol-1-yl)ethyl]piperidine
CID 136563563
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 129357113
1-(3-chloro-4-methoxyphenyl)sulfonyl-3-(1-methylpyrazol-3-yl)piperidine
CID 121188731
3-methyl-5-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 129357707
2-(1-butylsulfonylpiperidin-3-yl)-5-methyl-1H-indole
CID 113088698
2-[(3R)-1-butylsulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51867889
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
4-(1-ethylsulfonylpiperidin-3-yl)pyrimidin-2-amine
CID 110250142
1-[5-[(3R)-1-butylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 97344690

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The IUPAC name of 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine (CID 121188649) is 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine is CCCCS(=O)(=O)N1CCCC(c2ccn(C)n2)C1.
What is the InChIKey of 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
The InChIKey is UJDNDMDPCHKDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-4-10-19(17,18)16-8-5-6-12(11-16)13-7-9-15(2)14-13/h7,9,12H,3-6,8,10-11H2,1-2H3.
What are the key properties of 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine?
1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine has a molecular weight of 285.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-3-(1-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 121188649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).