3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide

C12H22N4O3S — CID 102631233

IUPAC3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)C2CCCCC2O)c(N)nn1C
InChIInChI=1S/C12H22N4O3S/c1-8-11(12(13)14-15(8)2)20(18,19)16(3)9-6-4-5-7-10(9)17/h9-10,17H,4-7H2,1-3H3,(H2,13,14)
InChIKeyIZABYYFHCBOXRH-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.23
Rot. Bonds3

About 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide

3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide (PubChem CID 102631233) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
PubChem CID102631233
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)C2CCCCC2O)c(N)nn1C
InChIInChI=1S/C12H22N4O3S/c1-8-11(12(13)14-15(8)2)20(18,19)16(3)9-6-4-5-7-10(9)17/h9-10,17H,4-7H2,1-3H3,(H2,13,14)
InChIKeyIZABYYFHCBOXRH-UHFFFAOYSA-N
XLogP0.23
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357969
4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102631283
3-amino-N-(4-hydroxycyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357939
N-(2-hydroxycyclohexyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 102634585
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
[1-(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methanol
CID 105358382
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)-1,5-dimethylpyrazol-3-amine
CID 105359185
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
N-(2-hydroxycyclohexyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 102634893
3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631263
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide (CID 102631233) is 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)C2CCCCC2O)c(N)nn1C.
What is the InChIKey of 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is IZABYYFHCBOXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-8-11(12(13)14-15(8)2)20(18,19)16(3)9-6-4-5-7-10(9)17/h9-10,17H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide?
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 102631233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).