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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Related Compounds

2,5,6-trimethyl-N-[[(2S)-oxan-2-yl]methyl]-3-oxo-N-propylpyridazine-4-carboxamide
CID 95614526
N-(2-cyanoethyl)-N-cyclopropyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 61384412
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748534
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82834331
2-(chloromethyl)-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylmorpholine
CID 81212496
N-benzyl-N-ethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 110705697
N-methyl-N-[2-(oxan-2-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 131933777
4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one
CID 105107024
1-(4-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)methanesulfonamide
CID 131952531

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).