N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

C11H18N4O3S — CID 54876928

IUPACN-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)14-5-9-3-2-4-15(8-9)11(16)10-6-12-13-7-10/h6-7,9,14H,2-5,8H2,1H3,(H,12,13)
InChIKeyRMWXEONQPKYWAE-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.19
Rot. Bonds4

About N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 54876928) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID54876928
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H18N4O3S/c1-19(17,18)14-5-9-3-2-4-15(8-9)11(16)10-6-12-13-7-10/h6-7,9,14H,2-5,8H2,1H3,(H,12,13)
InChIKeyRMWXEONQPKYWAE-UHFFFAOYSA-N
XLogP-0.19
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methanesulfonyl-4-[1-(1H-pyrazole-4-carbonyl)pyrrolidin-3-YL]piperidine
CID 91910294
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
3-ethyl-1-(1H-pyrazol-4-ylcarbonyl)piperidine-3-carboxamide
CID 77092336
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
1H-pyrazol-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071081
1H-pyrazol-4-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 28071083
1-(1H-pyrazol-4-ylcarbonyl)-3-(trifluoromethyl)piperidine
CID 45169604
(4,4-difluoro-3-methylpiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 126791381
N-(2,2-difluoroethyl)-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 167821961
piperidin-1-yl(1H-pyrazol-4-yl)methanone
CID 43582692
N-(3-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 43582856

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide (CID 54876928) is N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is RMWXEONQPKYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-19(17,18)14-5-9-3-2-4-15(8-9)11(16)10-6-12-13-7-10/h6-7,9,14H,2-5,8H2,1H3,(H,12,13).
What are the key properties of N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 286.36 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 54876928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).