(1-methylcyclohexyl)sulfamic acid

C7H15NO3S — CID 102317310

IUPAC(1-methylcyclohexyl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)CCCCC1
InChIInChI=1S/C7H15NO3S/c1-7(8-12(9,10)11)5-3-2-4-6-7/h8H,2-6H2,1H3,(H,9,10,11)
InChIKeyBLQREGLXILXMKR-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.10
Rot. Bonds2

About (1-methylcyclohexyl)sulfamic acid

(1-methylcyclohexyl)sulfamic acid (PubChem CID 102317310) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is (1-methylcyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(1-methylcyclohexyl)sulfamic acid
PubChem CID102317310
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name(1-methylcyclohexyl)sulfamic acid
SMILESCC1(NS(=O)(=O)O)CCCCC1
InChIInChI=1S/C7H15NO3S/c1-7(8-12(9,10)11)5-3-2-4-6-7/h8H,2-6H2,1H3,(H,9,10,11)
InChIKeyBLQREGLXILXMKR-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
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

N-(1-methylcyclohexyl)propane-1-sulfonamide
CID 61384311
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
1-cyano-N-(1-methylcyclopentyl)methanesulfonamide
CID 64687445
1,1,1-trifluoro-N-(1,5,5-trimethylcyclooctyl)methanesulfonamide
CID 149016888
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677
4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
2-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81245733
3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide
CID 61368525
(2-methyl-1,3-dioxolan-2-yl)sulfamic acid
CID 70427971
N-(1-methylcyclopentyl)piperidine-4-sulfonamide
CID 64688461
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-(1-methylcyclohexyl)-2-phenylethenesulfonamide
CID 70606649

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)sulfamic acid?
The IUPAC name of (1-methylcyclohexyl)sulfamic acid (CID 102317310) is (1-methylcyclohexyl)sulfamic acid.
What is the SMILES notation for (1-methylcyclohexyl)sulfamic acid?
The canonical SMILES for (1-methylcyclohexyl)sulfamic acid is CC1(NS(=O)(=O)O)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)sulfamic acid?
The InChIKey is BLQREGLXILXMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(8-12(9,10)11)5-3-2-4-6-7/h8H,2-6H2,1H3,(H,9,10,11).
What are the key properties of (1-methylcyclohexyl)sulfamic acid?
(1-methylcyclohexyl)sulfamic acid has a molecular weight of 193.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)sulfamic acid is sourced from PubChem (CID 102317310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).