1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide

C15H27N3O3S — CID 94500290

IUPAC1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCO[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H27N3O3S/c1-11-7-5-6-8-14(11)21-10-9-16-22(19,20)15-12(2)17-18(4)13(15)3/h11,14,16H,5-10H2,1-4H3/t11-,14-/m1/s1
InChIKeyDMDWUYRQKAKHHT-BXUZGUMPSA-N
MW329.47 g/mol
LogP1.91
Rot. Bonds6

About 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide (PubChem CID 94500290) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide
PubChem CID94500290
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCO[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H27N3O3S/c1-11-7-5-6-8-14(11)21-10-9-16-22(19,20)15-12(2)17-18(4)13(15)3/h11,14,16H,5-10H2,1-4H3/t11-,14-/m1/s1
InChIKeyDMDWUYRQKAKHHT-BXUZGUMPSA-N
XLogP1.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,2-oxazole-4-sulfonamide
CID 51946575
1,3,5-trimethyl-N-[2-(2-methylcyclohexyl)oxyethyl]pyrazole-4-carboxamide
CID 51081065
3-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]benzenesulfonamide
CID 55905470
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
(3S,5R)-3,5-dimethyl-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]piperidine-1-sulfonamide
CID 52530156
N-[2-(2-methoxyethylamino)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 83040038
1,3,5-trimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 19684327
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95142288
1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
CID 63622695
1,3,5-trimethyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 55100929
1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106026848
1,3,5-trimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 55028509

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide (CID 94500290) is 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCO[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide?
The InChIKey is DMDWUYRQKAKHHT-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-11-7-5-6-8-14(11)21-10-9-16-22(19,20)15-12(2)17-18(4)13(15)3/h11,14,16H,5-10H2,1-4H3/t11-,14-/m1/s1.
What are the key properties of 1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide has a molecular weight of 329.47 g/mol, XLogP of 1.91, 6 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-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 94500290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).