prop-2-ynyl N-cyclohexylsulfamate

C9H15NO3S — CID 123876723

IUPACprop-2-ynyl N-cyclohexylsulfamate
SMILESC#CCOS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C9H15NO3S/c1-2-8-13-14(11,12)10-9-6-4-3-5-7-9/h1,9-10H,3-8H2
InChIKeyVKOWTWJAGDLURC-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.80
Rot. Bonds4

About prop-2-ynyl N-cyclohexylsulfamate

prop-2-ynyl N-cyclohexylsulfamate (PubChem CID 123876723) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is prop-2-ynyl N-cyclohexylsulfamate.

Molecular Properties

Compound Nameprop-2-ynyl N-cyclohexylsulfamate
PubChem CID123876723
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Nameprop-2-ynyl N-cyclohexylsulfamate
SMILESC#CCOS(=O)(=O)NC1CCCCC1
InChIInChI=1S/C9H15NO3S/c1-2-8-13-14(11,12)10-9-6-4-3-5-7-9/h1,9-10H,3-8H2
InChIKeyVKOWTWJAGDLURC-UHFFFAOYSA-N
XLogP0.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-cyclohexylsulfamate
CID 12914623
N-prop-2-ynoxycyclopentanamine
CID 130671422
(cyclohexylamino) N-cyclohexylsulfamate
CID 87694019
2-N,7-N-dicyclohexyl-9-prop-2-ynoxyiminofluorene-2,7-disulfonamide
CID 165385472
N-cyclohexylsulfamoyl iodide
CID 155625677
propan-2-yl N-cyclohexylsulfamate
CID 56638183
N-cycloheptylmethanesulfonamide
CID 3113423
cyclononylsulfamic acid
CID 67135870
cycloheptylsulfamoyl carbamate
CID 87698075
1-chloro-N-cycloheptylmethanesulfonamide
CID 63666370
(1-aminocyclohexyl) N-cyclohexylsulfamate
CID 87589048
cyclohexylsulfamic acid;hydrochloride
CID 67875894

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-cyclohexylsulfamate?
The IUPAC name of prop-2-ynyl N-cyclohexylsulfamate (CID 123876723) is prop-2-ynyl N-cyclohexylsulfamate.
What is the SMILES notation for prop-2-ynyl N-cyclohexylsulfamate?
The canonical SMILES for prop-2-ynyl N-cyclohexylsulfamate is C#CCOS(=O)(=O)NC1CCCCC1.
What is the InChIKey of prop-2-ynyl N-cyclohexylsulfamate?
The InChIKey is VKOWTWJAGDLURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-8-13-14(11,12)10-9-6-4-3-5-7-9/h1,9-10H,3-8H2.
What are the key properties of prop-2-ynyl N-cyclohexylsulfamate?
prop-2-ynyl N-cyclohexylsulfamate has a molecular weight of 217.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-cyclohexylsulfamate is sourced from PubChem (CID 123876723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).