(1-methylcyclohexyl)methylsulfamic acid

C8H17NO3S — CID 23197363

IUPAC(1-methylcyclohexyl)methylsulfamic acid
SMILESCC1(CNS(=O)(=O)O)CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(5-3-2-4-6-8)7-9-13(10,11)12/h9H,2-7H2,1H3,(H,10,11,12)
InChIKeyGVYSHKCGTMJSQO-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.35
Rot. Bonds3

About (1-methylcyclohexyl)methylsulfamic acid

(1-methylcyclohexyl)methylsulfamic acid (PubChem CID 23197363) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (1-methylcyclohexyl)methylsulfamic acid.

Molecular Properties

Compound Name(1-methylcyclohexyl)methylsulfamic acid
PubChem CID23197363
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(1-methylcyclohexyl)methylsulfamic acid
SMILESCC1(CNS(=O)(=O)O)CCCCC1
InChIInChI=1S/C8H17NO3S/c1-8(5-3-2-4-6-8)7-9-13(10,11)12/h9H,2-7H2,1H3,(H,10,11,12)
InChIKeyGVYSHKCGTMJSQO-UHFFFAOYSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.35
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

[1-(Aminomethyl)cyclohexyl]methanamine;platinum;sulfuric acid
CID 11947754
CID 24199037
CID 24199037
7,7-Dimethyloctylsulfamic acid
CID 87283491
5,5-Dimethylhexylsulfamic acid
CID 87283510
[(5R)-3-ethyl-5-methylcyclohexyl]methylsulfamic acid
CID 173746381
(2,2-Dimethylcyclohexyl)sulfamic acid
CID 175440747
(4-Cyclohexyl-2-methylbutyl)sulfamic acid
CID 175465643
[1-(Aminomethyl)cyclohexyl]methanamine;platinum(2+);sulfuric acid
CID 9889174
1-Propyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 10014280
1,1,3-Trimethyl-5-(sulfinoamino)cyclohexane
CID 68407522
1-Methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 103753229
N-[(1-methylcyclohexyl)methyl]methanesulfonamide
CID 103753779

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)methylsulfamic acid?
The IUPAC name of (1-methylcyclohexyl)methylsulfamic acid (CID 23197363) is (1-methylcyclohexyl)methylsulfamic acid.
What is the SMILES notation for (1-methylcyclohexyl)methylsulfamic acid?
The canonical SMILES for (1-methylcyclohexyl)methylsulfamic acid is CC1(CNS(=O)(=O)O)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl)methylsulfamic acid?
The InChIKey is GVYSHKCGTMJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-8(5-3-2-4-6-8)7-9-13(10,11)12/h9H,2-7H2,1H3,(H,10,11,12).
What are the key properties of (1-methylcyclohexyl)methylsulfamic acid?
(1-methylcyclohexyl)methylsulfamic acid has a molecular weight of 207.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)methylsulfamic acid is sourced from PubChem (CID 23197363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).