methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid

C10H21NO3S — CID 22996865

IUPACmethyl-(1,2,2-trimethylcyclohexyl)sulfamic acid
SMILESCN(C1(C)CCCCC1(C)C)S(=O)(=O)O
InChIInChI=1S/C10H21NO3S/c1-9(2)7-5-6-8-10(9,3)11(4)15(12,13)14/h5-8H2,1-4H3,(H,12,13,14)
InChIKeyBVGFBPRRONDAPN-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.08
Rot. Bonds2

About methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid

methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid (PubChem CID 22996865) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid.

Molecular Properties

Compound Namemethyl-(1,2,2-trimethylcyclohexyl)sulfamic acid
PubChem CID22996865
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Namemethyl-(1,2,2-trimethylcyclohexyl)sulfamic acid
SMILESCN(C1(C)CCCCC1(C)C)S(=O)(=O)O
InChIInChI=1S/C10H21NO3S/c1-9(2)7-5-6-8-10(9,3)11(4)15(12,13)14/h5-8H2,1-4H3,(H,12,13,14)
InChIKeyBVGFBPRRONDAPN-UHFFFAOYSA-N
XLogP2.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(1-methylcyclopentyl)ethanesulfonamide
CID 130659156
sodium 1-hydroxy-2,2-dimethylcyclohexane-1-sulfonate
CID 103574224
(1-methylcyclohexyl)sulfamic acid
CID 102317310
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499
sulfuric acid;2,2,6,6-tetramethylpiperidine
CID 21127455
(5R,10R)-4,4,10-trimethylspiro[4.5]decan-10-ol
CID 102083415
N,1-dimethyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 128925463
1-hydroxy-1-[[methyl(methylsulfamoyl)amino]methyl]cyclopentane
CID 114951771
2,2-dimethylcyclooctane-1,1-diol
CID 90109064
CID 87100695
CID 87100695
lithium 1-methylcyclopentan-1-ol
CID 18764027
2-methyl-3-[(1,2,2-trimethylcyclohexyl)amino]propane-1-sulfonic acid
CID 139410636

Frequently Asked Questions

What is the IUPAC name of methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid?
The IUPAC name of methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid (CID 22996865) is methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid.
What is the SMILES notation for methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid?
The canonical SMILES for methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid is CN(C1(C)CCCCC1(C)C)S(=O)(=O)O.
What is the InChIKey of methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid?
The InChIKey is BVGFBPRRONDAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-9(2)7-5-6-8-10(9,3)11(4)15(12,13)14/h5-8H2,1-4H3,(H,12,13,14).
What are the key properties of methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid?
methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid has a molecular weight of 235.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1,2,2-trimethylcyclohexyl)sulfamic acid is sourced from PubChem (CID 22996865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).