1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide

C15H26N4O3S — CID 95281378

IUPAC1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C15H26N4O3S/c1-10-8-6-7-9-19(10)15(20)12(3)17-23(21,22)14-11(2)16-18(5)13(14)4/h10,12,17H,6-9H2,1-5H3/t10-,12-/m0/s1
InChIKeyTVUVXMXFHRUVKX-JQWIXIFHSA-N
MW342.47 g/mol
LogP1.10
Rot. Bonds4

About 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide (PubChem CID 95281378) has the molecular formula C15H26N4O3S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
PubChem CID95281378
Molecular FormulaC15H26N4O3S
Molecular Weight342.47 g/mol
Exact Mass342.17
IUPAC Name1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C15H26N4O3S/c1-10-8-6-7-9-19(10)15(20)12(3)17-23(21,22)14-11(2)16-18(5)13(14)4/h10,12,17H,6-9H2,1-5H3/t10-,12-/m0/s1
InChIKeyTVUVXMXFHRUVKX-JQWIXIFHSA-N
XLogP1.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide (CID 95281378) is 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?
The InChIKey is TVUVXMXFHRUVKX-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H26N4O3S/c1-10-8-6-7-9-19(10)15(20)12(3)17-23(21,22)14-11(2)16-18(5)13(14)4/h10,12,17H,6-9H2,1-5H3/t10-,12-/m0/s1.
What are the key properties of 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide has a molecular weight of 342.47 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 95281378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).