propan-2-yl N-cyclohexylsulfamate

C9H19NO3S — CID 56638183

IUPACpropan-2-yl N-cyclohexylsulfamate
SMILESCC(C)OS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C9H19NO3S/c1-8(2)13-14(11,12)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeySABCBWQIAIXLED-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.58
Rot. Bonds4

About propan-2-yl N-cyclohexylsulfamate

propan-2-yl N-cyclohexylsulfamate (PubChem CID 56638183) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is propan-2-yl N-cyclohexylsulfamate.

Molecular Properties

Compound Namepropan-2-yl N-cyclohexylsulfamate
PubChem CID56638183
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Namepropan-2-yl N-cyclohexylsulfamate
SMILESCC(C)OS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C9H19NO3S/c1-8(2)13-14(11,12)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3
InChIKeySABCBWQIAIXLED-UHFFFAOYSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclodecylpropane-2-sulfonamide
CID 131977128
ethyl N-cyclohexylsulfamate
CID 12914623
N-cycloheptylmethanesulfonamide
CID 3113423
(cyclohexylamino) N-cyclohexylsulfamate
CID 87694019
methyl 2-(cyclohexylsulfamoyl)propanoate
CID 63362940
[(1S)-1-cyclohexylethyl] hydrogen sulfate
CID 101191225
N-cyclohexylbutane-2-sulfonamide
CID 59716186
N-cyclohexylsulfamoyl iodide
CID 155625677
propan-2-yl cyclopentanesulfonate
CID 22436828
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
cyclononylsulfamic acid
CID 67135870
cycloheptylsulfamoyl carbamate
CID 87698075

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-cyclohexylsulfamate?
The IUPAC name of propan-2-yl N-cyclohexylsulfamate (CID 56638183) is propan-2-yl N-cyclohexylsulfamate.
What is the SMILES notation for propan-2-yl N-cyclohexylsulfamate?
The canonical SMILES for propan-2-yl N-cyclohexylsulfamate is CC(C)OS(=O)(=O)NC1CCCCC1.
What is the InChIKey of propan-2-yl N-cyclohexylsulfamate?
The InChIKey is SABCBWQIAIXLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(2)13-14(11,12)10-9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3.
What are the key properties of propan-2-yl N-cyclohexylsulfamate?
propan-2-yl N-cyclohexylsulfamate has a molecular weight of 221.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-cyclohexylsulfamate is sourced from PubChem (CID 56638183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).