N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide

C9H19NO3S — CID 164645767

IUPACN-methoxy-N,4-dimethylcyclohexane-1-sulfonamide
SMILESCON(C)S(=O)(=O)C1CCC(C)CC1
InChIInChI=1S/C9H19NO3S/c1-8-4-6-9(7-5-8)14(11,12)10(2)13-3/h8-9H,4-7H2,1-3H3
InChIKeyIYYUXQHMGRGWFR-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.39
Rot. Bonds3

About N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide

N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide (PubChem CID 164645767) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-methoxy-N,4-dimethylcyclohexane-1-sulfonamide
PubChem CID164645767
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN-methoxy-N,4-dimethylcyclohexane-1-sulfonamide
SMILESCON(C)S(=O)(=O)C1CCC(C)CC1
InChIInChI=1S/C9H19NO3S/c1-8-4-6-9(7-5-8)14(11,12)10(2)13-3/h8-9H,4-7H2,1-3H3
InChIKeyIYYUXQHMGRGWFR-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(4-methylcyclohexyl)cyclopropanesulfonamide
CID 58394512
2-[methyl-(4-methylcycloheptyl)sulfonylamino]acetic acid
CID 142345030
N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropanesulfonamide
CID 64554742
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
N-(2-hydroxy-3-methoxypropyl)-N-methyloxane-4-sulfonamide
CID 62048631
N-methoxy-N-methylpropane-1-sulfonamide
CID 64591183
bis(1,4-dimethylcyclohexane);methane
CID 161326462
4-(4-methylcyclohexyl)sulfonylcyclohexane-1-carboxylic acid
CID 131877741
N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349449
N-(3-bromopropyl)-N-methylcyclopropanesulfonamide
CID 106441788
2-(4-methylcyclohexyl)sulfonylpropan-1-amine
CID 81187393
cis-(1R,2R)-1-amino-N-cyclopropylsulfonyl-N,2-dimethylcyclopropane-1-carboxamide
CID 70896990

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide?
The IUPAC name of N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide (CID 164645767) is N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide.
What is the SMILES notation for N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide?
The canonical SMILES for N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide is CON(C)S(=O)(=O)C1CCC(C)CC1.
What is the InChIKey of N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide?
The InChIKey is IYYUXQHMGRGWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8-4-6-9(7-5-8)14(11,12)10(2)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide?
N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide has a molecular weight of 221.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,4-dimethylcyclohexane-1-sulfonamide is sourced from PubChem (CID 164645767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).