[(1R,2R)-2-methylcyclohexyl]sulfamic acid

C7H15NO3S — CID 54364445

IUPAC[(1R,2R)-2-methylcyclohexyl]sulfamic acid
SMILESC[C@@H]1CCCC[C@H]1NS(=O)(=O)O
InChIInChI=1S/C7H15NO3S/c1-6-4-2-3-5-7(6)8-12(9,10)11/h6-8H,2-5H2,1H3,(H,9,10,11)/t6-,7-/m1/s1
InChIKeyUOUBHXLOFQQIPZ-RNFRBKRXSA-N
MW193.27 g/mol
LogP0.96
Rot. Bonds2

About [(1R,2R)-2-methylcyclohexyl]sulfamic acid

[(1R,2R)-2-methylcyclohexyl]sulfamic acid (PubChem CID 54364445) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is [(1R,2R)-2-methylcyclohexyl]sulfamic acid.

Molecular Properties

Compound Name[(1R,2R)-2-methylcyclohexyl]sulfamic acid
PubChem CID54364445
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name[(1R,2R)-2-methylcyclohexyl]sulfamic acid
SMILESC[C@@H]1CCCC[C@H]1NS(=O)(=O)O
InChIInChI=1S/C7H15NO3S/c1-6-4-2-3-5-7(6)8-12(9,10)11/h6-8H,2-5H2,1H3,(H,9,10,11)/t6-,7-/m1/s1
InChIKeyUOUBHXLOFQQIPZ-RNFRBKRXSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium N-(2-methylcyclohexyl)sulfamate
CID 23663560
sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
Sulfamic acid, (3-methylcyclohexyl)-
CID 158269
N-(2-methylcyclohexyl)sulfamic acid
CID 13115365
4-Methylcyclohexylsulfamate
CID 23688970
(2-Methylcyclohexyl)sulfamic acid, cis-
CID 13115367
(2-Ethylcyclohexyl)sulfamic acid
CID 13115369
(2-Propan-2-ylcyclohexyl)sulfamic acid
CID 13115373
Sodium cis-2-methylcyclohexylsulfamate
CID 23663561
alpha-Methylcyclohexaneethylamine sulfate
CID 24837057
Sodium trans-2-methylcyclohexylsulfamate
CID 121489831
(4-Methylcyclohexyl)sulfamic acid
CID 170110

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-methylcyclohexyl]sulfamic acid?
The IUPAC name of [(1R,2R)-2-methylcyclohexyl]sulfamic acid (CID 54364445) is [(1R,2R)-2-methylcyclohexyl]sulfamic acid.
What is the SMILES notation for [(1R,2R)-2-methylcyclohexyl]sulfamic acid?
The canonical SMILES for [(1R,2R)-2-methylcyclohexyl]sulfamic acid is C[C@@H]1CCCC[C@H]1NS(=O)(=O)O.
What is the InChIKey of [(1R,2R)-2-methylcyclohexyl]sulfamic acid?
The InChIKey is UOUBHXLOFQQIPZ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-6-4-2-3-5-7(6)8-12(9,10)11/h6-8H,2-5H2,1H3,(H,9,10,11)/t6-,7-/m1/s1.
What are the key properties of [(1R,2R)-2-methylcyclohexyl]sulfamic acid?
[(1R,2R)-2-methylcyclohexyl]sulfamic acid has a molecular weight of 193.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-methylcyclohexyl]sulfamic acid is sourced from PubChem (CID 54364445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).