methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine

C12H27NO3S — CID 11425584

IUPACmethanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(C)(N)C1.CS(=O)(=O)O
InChIInChI=1S/C11H23N.CH4O3S/c1-9(2)6-10(3,4)8-11(5,12)7-9;1-5(2,3)4/h6-8,12H2,1-5H3;1H3,(H,2,3,4)
InChIKeyCLUKHUGGXSIGRX-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.44
Rot. Bonds

About methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine

methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine (PubChem CID 11425584) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine.

Molecular Properties

Compound Namemethanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine
PubChem CID11425584
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC Namemethanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine
SMILESCC1(C)CC(C)(C)CC(C)(N)C1.CS(=O)(=O)O
InChIInChI=1S/C11H23N.CH4O3S/c1-9(2)6-10(3,4)8-11(5,12)7-9;1-5(2,3)4/h6-8,12H2,1-5H3;1H3,(H,2,3,4)
InChIKeyCLUKHUGGXSIGRX-UHFFFAOYSA-N
XLogP2.44
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Amino-3,3-dimethylcyclohexyl)methanesulfonyl fluoride
CID 165532230
3,5-Dimethyladamantan-1-amine;methanesulfonic acid
CID 25168299
Methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine;hydrate
CID 71558789
cis-(1S,5S)-1,3,3,5-tetramethylcyclohexan-1-amine;methanesulfonic acid
CID 87135490
N-iodo-1,3,3,5,5-pentamethylcyclohexan-1-amine;methanesulfonic acid
CID 87135626
CID 87135712
CID 87135712
1-Ethyl-3,3,5,5-tetramethylcyclohexan-1-amine;methanesulfonic acid
CID 87177693
(1-Amino-3,3,5,5-tetramethylcyclohexyl)methanesulfonic acid
CID 121006237
(1,3,3,5,5-Pentamethylcyclohexyl)amino methanesulfonate
CID 164664959

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine?
The IUPAC name of methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine (CID 11425584) is methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine.
What is the SMILES notation for methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine?
The canonical SMILES for methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine is CC1(C)CC(C)(C)CC(C)(N)C1.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine?
The InChIKey is CLUKHUGGXSIGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.CH4O3S/c1-9(2)6-10(3,4)8-11(5,12)7-9;1-5(2,3)4/h6-8,12H2,1-5H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine?
methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 2.44, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;1,3,3,5,5-pentamethylcyclohexan-1-amine is sourced from PubChem (CID 11425584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).