(2,2-dimethylcyclohexyl) sulfamate

C8H17NO3S — CID 175465644

IUPAC(2,2-dimethylcyclohexyl) sulfamate
SMILESCC1(C)CCCCC1OS(N)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2)6-4-3-5-7(8)12-13(9,10)11/h7H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyHOLNSNYPIDHEMM-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.18
Rot. Bonds2

About (2,2-dimethylcyclohexyl) sulfamate

(2,2-dimethylcyclohexyl) sulfamate (PubChem CID 175465644) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl) sulfamate.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl) sulfamate
PubChem CID175465644
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2,2-dimethylcyclohexyl) sulfamate
SMILESCC1(C)CCCCC1OS(N)(=O)=O
InChIInChI=1S/C8H17NO3S/c1-8(2)6-4-3-5-7(8)12-13(9,10)11/h7H,3-6H2,1-2H3,(H2,9,10,11)
InChIKeyHOLNSNYPIDHEMM-UHFFFAOYSA-N
XLogP1.18
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl) sulfamate?
The IUPAC name of (2,2-dimethylcyclohexyl) sulfamate (CID 175465644) is (2,2-dimethylcyclohexyl) sulfamate.
What is the SMILES notation for (2,2-dimethylcyclohexyl) sulfamate?
The canonical SMILES for (2,2-dimethylcyclohexyl) sulfamate is CC1(C)CCCCC1OS(N)(=O)=O.
What is the InChIKey of (2,2-dimethylcyclohexyl) sulfamate?
The InChIKey is HOLNSNYPIDHEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(2)6-4-3-5-7(8)12-13(9,10)11/h7H,3-6H2,1-2H3,(H2,9,10,11).
What are the key properties of (2,2-dimethylcyclohexyl) sulfamate?
(2,2-dimethylcyclohexyl) sulfamate has a molecular weight of 207.29 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl) sulfamate is sourced from PubChem (CID 175465644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).