(1-methylcyclohexyl)methyl sulfamate

C8H17NO3S — CID 11506708

IUPAC(1-methylcyclohexyl)methyl sulfamate
SMILESCC1(COS(N)(=O)=O)CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(5-3-2-4-6-8)7-12-13(9,10)11/h2-7H2,1H3,(H2,9,10,11)
InChIKeyPUXYLNCDPIKLRE-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.18
Rot. Bonds3

About (1-methylcyclohexyl)methyl sulfamate

(1-methylcyclohexyl)methyl sulfamate (PubChem CID 11506708) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (1-methylcyclohexyl)methyl sulfamate.

Molecular Properties

Compound Name(1-methylcyclohexyl)methyl sulfamate
PubChem CID11506708
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(1-methylcyclohexyl)methyl sulfamate
SMILESCC1(COS(N)(=O)=O)CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(5-3-2-4-6-8)7-12-13(9,10)11/h2-7H2,1H3,(H2,9,10,11)
InChIKeyPUXYLNCDPIKLRE-UHFFFAOYSA-N
XLogP1.18
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

3,7-Dimethyloctyl sulfamate
CID 91844921
(1-Methylcyclohexyl)methyl sulfurochloridate
CID 86167613
2-Cyclohexylethyl sulfamate
CID 122528767
Azanium 8,8-dimethylnonyl sulfate
CID 141355854
O-[(1-methylcyclohexyl)methyl]hydroxylamine
CID 145674276
18,18-Dimethylnonadecyl sulfamate
CID 154431271
6-Methylheptyl sulfamate
CID 157844103
3,3-Dimethylcyclohexyl sulfamate
CID 165964582
4,4-Dimethylcyclohexyl sulfamate
CID 165993968
(2,2-Dimethylcyclohexyl) sulfamate
CID 175465644
(1-Cyclohexyl-4-methylpentan-2-yl) sulfamate
CID 121011760
(3,3-Dimethylcyclohexyl)methyl sulfamate
CID 165694482

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)methyl sulfamate?
The IUPAC name of (1-methylcyclohexyl)methyl sulfamate (CID 11506708) is (1-methylcyclohexyl)methyl sulfamate.
What is the SMILES notation for (1-methylcyclohexyl)methyl sulfamate?
The canonical SMILES for (1-methylcyclohexyl)methyl sulfamate is CC1(COS(N)(=O)=O)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)methyl sulfamate?
The InChIKey is PUXYLNCDPIKLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(5-3-2-4-6-8)7-12-13(9,10)11/h2-7H2,1H3,(H2,9,10,11).
What are the key properties of (1-methylcyclohexyl)methyl sulfamate?
(1-methylcyclohexyl)methyl sulfamate has a molecular weight of 207.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)methyl sulfamate is sourced from PubChem (CID 11506708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).