[propan-2-yl(sulfamoyl)amino]methylcyclohexane

C10H22N2O2S — CID 167048993

IUPAC[propan-2-yl(sulfamoyl)amino]methylcyclohexane
SMILESCC(C)N(CC1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)12(15(11,13)14)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,11,13,14)
InChIKeyLARNKGLWCLROTB-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.48
Rot. Bonds4

About [propan-2-yl(sulfamoyl)amino]methylcyclohexane

[propan-2-yl(sulfamoyl)amino]methylcyclohexane (PubChem CID 167048993) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is [propan-2-yl(sulfamoyl)amino]methylcyclohexane.

Molecular Properties

Compound Name[propan-2-yl(sulfamoyl)amino]methylcyclohexane
PubChem CID167048993
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name[propan-2-yl(sulfamoyl)amino]methylcyclohexane
SMILESCC(C)N(CC1CCCCC1)S(N)(=O)=O
InChIInChI=1S/C10H22N2O2S/c1-9(2)12(15(11,13)14)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,11,13,14)
InChIKeyLARNKGLWCLROTB-UHFFFAOYSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [propan-2-yl(sulfamoyl)amino]methylcyclohexane?
The IUPAC name of [propan-2-yl(sulfamoyl)amino]methylcyclohexane (CID 167048993) is [propan-2-yl(sulfamoyl)amino]methylcyclohexane.
What is the SMILES notation for [propan-2-yl(sulfamoyl)amino]methylcyclohexane?
The canonical SMILES for [propan-2-yl(sulfamoyl)amino]methylcyclohexane is CC(C)N(CC1CCCCC1)S(N)(=O)=O.
What is the InChIKey of [propan-2-yl(sulfamoyl)amino]methylcyclohexane?
The InChIKey is LARNKGLWCLROTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9(2)12(15(11,13)14)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,11,13,14).
What are the key properties of [propan-2-yl(sulfamoyl)amino]methylcyclohexane?
[propan-2-yl(sulfamoyl)amino]methylcyclohexane has a molecular weight of 234.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [propan-2-yl(sulfamoyl)amino]methylcyclohexane is sourced from PubChem (CID 167048993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).