[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

C15H24N4O5S — CID 55701701

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCC1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O5S/c1-11-3-5-12(6-4-11)18-14(20)10-24-15(21)8-17-25(22,23)13-7-16-19(2)9-13/h7,9,11-12,17H,3-6,8,10H2,1-2H3,(H,18,20)
InChIKeyZEORPWZWQUTHQH-UHFFFAOYSA-N
MW372.45 g/mol
LogP-0.06
Rot. Bonds7

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (PubChem CID 55701701) has the molecular formula C15H24N4O5S and a molecular weight of 372.45 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
PubChem CID55701701
Molecular FormulaC15H24N4O5S
Molecular Weight372.45 g/mol
Exact Mass372.15
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
SMILESCC1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O5S/c1-11-3-5-12(6-4-11)18-14(20)10-24-15(21)8-17-25(22,23)13-7-16-19(2)9-13/h7,9,11-12,17H,3-6,8,10H2,1-2H3,(H,18,20)
InChIKeyZEORPWZWQUTHQH-UHFFFAOYSA-N
XLogP-0.06
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate (CID 55701701) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is CC1CCC(NC(=O)COC(=O)CNS(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
The InChIKey is ZEORPWZWQUTHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O5S/c1-11-3-5-12(6-4-11)18-14(20)10-24-15(21)8-17-25(22,23)13-7-16-19(2)9-13/h7,9,11-12,17H,3-6,8,10H2,1-2H3,(H,18,20).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate has a molecular weight of 372.45 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 55701701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).