1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane

C12H26N2O3S — CID 65118002

IUPAC1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane
SMILESCCCCN(C)S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-3-4-10-14(2)18(16,17)13-11-12(15)8-6-5-7-9-12/h13,15H,3-11H2,1-2H3
InChIKeySJRCUSQZYCDXTF-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.25
Rot. Bonds7

About 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane

1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane (PubChem CID 65118002) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane.

Molecular Properties

Compound Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane
PubChem CID65118002
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane
SMILESCCCCN(C)S(=O)(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-3-4-10-14(2)18(16,17)13-11-12(15)8-6-5-7-9-12/h13,15H,3-11H2,1-2H3
InChIKeySJRCUSQZYCDXTF-UHFFFAOYSA-N
XLogP1.25
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane?
The IUPAC name of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane (CID 65118002) is 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane.
What is the SMILES notation for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane?
The canonical SMILES for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane is CCCCN(C)S(=O)(=O)NCC1(O)CCCCC1.
What is the InChIKey of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane?
The InChIKey is SJRCUSQZYCDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-4-10-14(2)18(16,17)13-11-12(15)8-6-5-7-9-12/h13,15H,3-11H2,1-2H3.
What are the key properties of 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane?
1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane has a molecular weight of 278.42 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butyl(methyl)sulfamoyl]amino]methyl]-1-hydroxycyclohexane is sourced from PubChem (CID 65118002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).