1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol

C12H26N2O3S — CID 75387096

IUPAC1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol
SMILESCCN(C)S(=O)(=O)N(CC(C)O)C1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-4-13(3)18(16,17)14(10-11(2)15)12-8-6-5-7-9-12/h11-12,15H,4-10H2,1-3H3
InChIKeyKIIWNOGRSISFIX-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.20
Rot. Bonds6

About 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol

1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol (PubChem CID 75387096) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol
PubChem CID75387096
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol
SMILESCCN(C)S(=O)(=O)N(CC(C)O)C1CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-4-13(3)18(16,17)14(10-11(2)15)12-8-6-5-7-9-12/h11-12,15H,4-10H2,1-3H3
InChIKeyKIIWNOGRSISFIX-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol?
The IUPAC name of 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol (CID 75387096) is 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol is CCN(C)S(=O)(=O)N(CC(C)O)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol?
The InChIKey is KIIWNOGRSISFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-13(3)18(16,17)14(10-11(2)15)12-8-6-5-7-9-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol?
1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol has a molecular weight of 278.42 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-[ethyl(methyl)sulfamoyl]amino]propan-2-ol is sourced from PubChem (CID 75387096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).