3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide

C12H22N4O2S — CID 105357953

IUPAC3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)C2CCCCC2)c(N)nn1C
InChIInChI=1S/C12H22N4O2S/c1-9-11(12(13)14-15(9)2)19(17,18)16(3)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyKURHZPDBTIQQBM-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.26
Rot. Bonds3

About 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide

3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide (PubChem CID 105357953) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide
PubChem CID105357953
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)C2CCCCC2)c(N)nn1C
InChIInChI=1S/C12H22N4O2S/c1-9-11(12(13)14-15(9)2)19(17,18)16(3)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyKURHZPDBTIQQBM-UHFFFAOYSA-N
XLogP1.26
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide (CID 105357953) is 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)C2CCCCC2)c(N)nn1C.
What is the InChIKey of 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KURHZPDBTIQQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-11(12(13)14-15(9)2)19(17,18)16(3)10-7-5-4-6-8-10/h10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide?
3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclohexyl-N,1,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105357953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).