1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine

C15H28N4O2S — CID 120714713

IUPAC1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2c(C)nn(CC(C)C)c2C)C1
InChIInChI=1S/C15H28N4O2S/c1-11(2)9-19-13(4)15(12(3)17-19)22(20,21)18-8-6-7-14(10-18)16-5/h11,14,16H,6-10H2,1-5H3
InChIKeyKRMRKFLLLAZKLP-UHFFFAOYSA-N
MW328.48 g/mol
LogP1.53
Rot. Bonds5

About 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine

1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine (PubChem CID 120714713) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine
PubChem CID120714713
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Name1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2c(C)nn(CC(C)C)c2C)C1
InChIInChI=1S/C15H28N4O2S/c1-11(2)9-19-13(4)15(12(3)17-19)22(20,21)18-8-6-7-14(10-18)16-5/h11,14,16H,6-10H2,1-5H3
InChIKeyKRMRKFLLLAZKLP-UHFFFAOYSA-N
XLogP1.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[(3R)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonylpiperidin-3-yl]ethanol
CID 98878106
(3S,4S)-1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-4-methylpyrrolidine-3-carboxylic acid
CID 122103858
3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600949
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120714917
(3R)-N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
CID 97164762
N-methyl-1-(3-methylpyrazin-2-yl)sulfonylpiperidin-3-amine
CID 71642687
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
CID 91812382
2-[4-(3-aminopiperidin-1-yl)sulfonyl-3,5-dimethylpyrazol-1-yl]acetic acid
CID 61403799
4-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-2-(1-ethylpyrazol-4-yl)morpholine
CID 129001054
N-methyl-1-(3-methylbutylsulfonyl)piperidin-3-amine
CID 63856793
N-(2-amino-1-cyclopropylethyl)-3,5-dimethyl-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 120711253
(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
CID 97164781

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine (CID 120714713) is 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2c(C)nn(CC(C)C)c2C)C1.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is KRMRKFLLLAZKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-11(2)9-19-13(4)15(12(3)17-19)22(20,21)18-8-6-7-14(10-18)16-5/h11,14,16H,6-10H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine?
1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 328.48 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 120714713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).