N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide

C12H22N4O2S — CID 102692083

IUPACN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)N1CCC(N(C)S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-5-11(6-9-16)15(3)19(17,18)12-4-7-13-14-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,13,14)
InChIKeyJGJIBGOOZWGUAT-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.90
Rot. Bonds4

About N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide

N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692083) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102692083
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)N1CCC(N(C)S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H22N4O2S/c1-10(2)16-8-5-11(6-9-16)15(3)19(17,18)12-4-7-13-14-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,13,14)
InChIKeyJGJIBGOOZWGUAT-UHFFFAOYSA-N
XLogP0.90
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692171
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 102692807
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 113725644
N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 113725717
1-(1H-pyrazol-5-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 113725769
4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 155952046

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide (CID 102692083) is N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide is CC(C)N1CCC(N(C)S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JGJIBGOOZWGUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)16-8-5-11(6-9-16)15(3)19(17,18)12-4-7-13-14-12/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,13,14).
What are the key properties of N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide?
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).