2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide

C15H31N3O3S — CID 47034956

IUPAC2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C15H31N3O3S/c1-12(2)11-14(15(19)17(3)4)16-22(20,21)18(5)13-9-7-6-8-10-13/h12-14,16H,6-11H2,1-5H3
InChIKeyYABNYTSMQAYZHI-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.59
Rot. Bonds7

About 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide

2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide (PubChem CID 47034956) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide
PubChem CID47034956
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)N(C)C
InChIInChI=1S/C15H31N3O3S/c1-12(2)11-14(15(19)17(3)4)16-22(20,21)18(5)13-9-7-6-8-10-13/h12-14,16H,6-11H2,1-5H3
InChIKeyYABNYTSMQAYZHI-UHFFFAOYSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide (CID 47034956) is 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide is CC(C)CC(NS(=O)(=O)N(C)C1CCCCC1)C(=O)N(C)C.
What is the InChIKey of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide?
The InChIKey is YABNYTSMQAYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-12(2)11-14(15(19)17(3)4)16-22(20,21)18(5)13-9-7-6-8-10-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide?
2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide has a molecular weight of 333.50 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methyl)sulfamoyl]amino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 47034956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).