2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide

C13H24N4O2S — CID 106630912

IUPAC2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C13H24N4O2S/c1-11(2)17(10-12-5-4-7-14-9-12)20(18,19)13-6-8-15-16(13)3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyCYDSOIMXSQJZSH-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.82
Rot. Bonds5

About 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide

2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide (PubChem CID 106630912) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
PubChem CID106630912
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide
SMILESCC(C)N(CC1CCCNC1)S(=O)(=O)c1ccnn1C
InChIInChI=1S/C13H24N4O2S/c1-11(2)17(10-12-5-4-7-14-9-12)20(18,19)13-6-8-15-16(13)3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3
InChIKeyCYDSOIMXSQJZSH-UHFFFAOYSA-N
XLogP0.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630983
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylimidazole-4-sulfonamide
CID 106630977
2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzenesulfonamide
CID 106630902
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
2-[(2-methylpyrazol-3-yl)sulfonyl-piperidin-3-ylamino]acetamide
CID 104709486
N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride
CID 120709852
2,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630934
1-cyclohexyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylmethanesulfonamide
CID 106630965
N-[2-(2-methylpyrazol-3-yl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640781
5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630942
5-chloro-4-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-sulfonamide
CID 106630961
N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
CID 80554998

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide (CID 106630912) is 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide is CC(C)N(CC1CCCNC1)S(=O)(=O)c1ccnn1C.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide?
The InChIKey is CYDSOIMXSQJZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-11(2)17(10-12-5-4-7-14-9-12)20(18,19)13-6-8-15-16(13)3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide?
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrazole-3-sulfonamide is sourced from PubChem (CID 106630912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).