1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide

C15H27N3O3S — CID 95312132

IUPAC1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O3S/c1-5-9-18(11-14-8-6-7-10-21-14)22(19,20)15-12(2)16-17(4)13(15)3/h14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeySXKZFJRASRVNLO-AWEZNQCLSA-N
MW329.47 g/mol
LogP2.01
Rot. Bonds6

About 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide

1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide (PubChem CID 95312132) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide
PubChem CID95312132
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide
SMILESCCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C15H27N3O3S/c1-5-9-18(11-14-8-6-7-10-21-14)22(19,20)15-12(2)16-17(4)13(15)3/h14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeySXKZFJRASRVNLO-AWEZNQCLSA-N
XLogP2.01
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide (CID 95312132) is 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide is CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide?
The InChIKey is SXKZFJRASRVNLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-5-9-18(11-14-8-6-7-10-21-14)22(19,20)15-12(2)16-17(4)13(15)3/h14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 95312132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).