N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide

C12H20N4O3S — CID 47363868

IUPACN-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H20N4O3S/c1-9(2)12(17)16-5-3-10(4-6-16)15-20(18,19)11-7-13-14-8-11/h7-10,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyVYAMEGRQFKNJBO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.34
Rot. Bonds4

About N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide

N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide (PubChem CID 47363868) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
PubChem CID47363868
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C12H20N4O3S/c1-9(2)12(17)16-5-3-10(4-6-16)15-20(18,19)11-7-13-14-8-11/h7-10,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyVYAMEGRQFKNJBO-UHFFFAOYSA-N
XLogP0.34
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)propyl]-9-(1H-pyrazol-4-ylsulfonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72855837
2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60911158
tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate
CID 177048842
N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]methanesulfonamide
CID 47265884
1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxamide
CID 47267285
N-propan-2-yl-2-(1H-pyrazol-4-ylsulfonylamino)acetamide
CID 47267387
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 47267428
N,N-dimethyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide
CID 47267532
N-ethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267535
N,N-dimethyl-2-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267537
N,N-dimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267649
N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 47267718

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide (CID 47363868) is N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide is CC(C)C(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
The InChIKey is VYAMEGRQFKNJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-9(2)12(17)16-5-3-10(4-6-16)15-20(18,19)11-7-13-14-8-11/h7-10,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide?
N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47363868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).