N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

C14H27ClN4O2S — CID 120666378

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1NCCCC1(C)C.Cl
InChIInChI=1S/C14H26N4O2S.ClH/c1-10-13(11(2)18(5)17-10)21(19,20)16-9-12-14(3,4)7-6-8-15-12;/h12,15-16H,6-9H2,1-5H3;1H
InChIKeyISFNSGHDIIKPCM-UHFFFAOYSA-N
MW350.92 g/mol
LogP1.52
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (PubChem CID 120666378) has the molecular formula C14H27ClN4O2S and a molecular weight of 350.92 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
PubChem CID120666378
Molecular FormulaC14H27ClN4O2S
Molecular Weight350.92 g/mol
Exact Mass350.15
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1NCCCC1(C)C.Cl
InChIInChI=1S/C14H26N4O2S.ClH/c1-10-13(11(2)18(5)17-10)21(19,20)16-9-12-14(3,4)7-6-8-15-12;/h12,15-16H,6-9H2,1-5H3;1H
InChIKeyISFNSGHDIIKPCM-UHFFFAOYSA-N
XLogP1.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.92
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylpyrazole-5-sulfonamide
CID 106315562
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 167794277
N-[(3,3-dimethylpiperidin-2-yl)methyl]pyrrolidine-1-sulfonamide
CID 114083940
N-[4-[(3,3-dimethylpiperidin-2-yl)methylsulfamoyl]phenyl]acetamide
CID 120666406
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trifluorobenzenesulfonamide
CID 120714107
1-cyclopentyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]methanesulfonamide
CID 119052640
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
CID 63622695
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-5-sulfonamide
CID 120666371
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 120666342
N-[1-(aminomethyl)cyclopentyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62062940

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride (CID 120666378) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is Cc1nn(C)c(C)c1S(=O)(=O)NCC1NCCCC1(C)C.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
The InChIKey is ISFNSGHDIIKPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S.ClH/c1-10-13(11(2)18(5)17-10)21(19,20)16-9-12-14(3,4)7-6-8-15-12;/h12,15-16H,6-9H2,1-5H3;1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride has a molecular weight of 350.92 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120666378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).