(2,6-dimethylcyclohexyl)sulfamic acid

C8H17NO3S — CID 67465576

IUPAC(2,6-dimethylcyclohexyl)sulfamic acid
SMILESCC1CCCC(C)C1NS(=O)(=O)O
InChIInChI=1S/C8H17NO3S/c1-6-4-3-5-7(2)8(6)9-13(10,11)12/h6-9H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyPHWDPKSRJUPRQE-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.20
Rot. Bonds2

About (2,6-dimethylcyclohexyl)sulfamic acid

(2,6-dimethylcyclohexyl)sulfamic acid (PubChem CID 67465576) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2,6-dimethylcyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(2,6-dimethylcyclohexyl)sulfamic acid
PubChem CID67465576
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2,6-dimethylcyclohexyl)sulfamic acid
SMILESCC1CCCC(C)C1NS(=O)(=O)O
InChIInChI=1S/C8H17NO3S/c1-6-4-3-5-7(2)8(6)9-13(10,11)12/h6-9H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyPHWDPKSRJUPRQE-UHFFFAOYSA-N
XLogP1.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.20
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

Cyclohexylamine, 2-(cyclohexylmethyl)-, sulfate (Z)-
CID 3063995
sodium N-(2-ethylcyclohexyl)sulfamate
CID 23663562
sodium N-(2-propan-2-ylcyclohexyl)sulfamate
CID 23663564
Sulfamic acid, (3-methylcyclohexyl)-
CID 158269
N-(2-methylcyclohexyl)sulfamic acid
CID 13115365
4-n-Hexylcyclohexylamine hemisulfate
CID 21128926
(2-Methylcyclohexyl)sulfamic acid, cis-
CID 13115367
(2-Ethylcyclohexyl)sulfamic acid
CID 13115369
(2-Propan-2-ylcyclohexyl)sulfamic acid
CID 13115373
alpha-Methylcyclohexaneethylamine sulfate
CID 24837057
(2-Methylcyclohexyl)sulfamic acid, trans-
CID 54364445
2-(Cyclohexylmethyl)cyclohexan-1-amine;sulfuric acid
CID 297771

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylcyclohexyl)sulfamic acid?
The IUPAC name of (2,6-dimethylcyclohexyl)sulfamic acid (CID 67465576) is (2,6-dimethylcyclohexyl)sulfamic acid.
What is the SMILES notation for (2,6-dimethylcyclohexyl)sulfamic acid?
The canonical SMILES for (2,6-dimethylcyclohexyl)sulfamic acid is CC1CCCC(C)C1NS(=O)(=O)O.
What is the InChIKey of (2,6-dimethylcyclohexyl)sulfamic acid?
The InChIKey is PHWDPKSRJUPRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-6-4-3-5-7(2)8(6)9-13(10,11)12/h6-9H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of (2,6-dimethylcyclohexyl)sulfamic acid?
(2,6-dimethylcyclohexyl)sulfamic acid has a molecular weight of 207.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylcyclohexyl)sulfamic acid is sourced from PubChem (CID 67465576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).