N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide

C11H22ClNO3S — CID 55186515

IUPACN-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22ClNO3S/c1-13(8-10(12)9-16-2)17(14,15)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyQRILJYRHOPOJLM-UHFFFAOYSA-N
MW283.82 g/mol
LogP1.83
Rot. Bonds6

About N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide

N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide (PubChem CID 55186515) has the molecular formula C11H22ClNO3S and a molecular weight of 283.82 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide
PubChem CID55186515
Molecular FormulaC11H22ClNO3S
Molecular Weight283.82 g/mol
Exact Mass283.10
IUPAC NameN-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide
SMILESCOCC(Cl)CN(C)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H22ClNO3S/c1-13(8-10(12)9-16-2)17(14,15)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyQRILJYRHOPOJLM-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclohexyl-3-methoxypropane-1-sulfonamide
CID 55188015
3-chloro-N-(3-methoxypropyl)-N-methylpropane-1-sulfonamide
CID 62984809
N-(2-chloroethyl)-N-cyclohexyl-2-ethoxyethanesulfonamide
CID 63396945
N-(2-chloroethyl)-N-cyclohexyl-2-methoxyethanesulfonamide
CID 63396946
N-(2-chloropropyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 63397077
N-(2-chloropropyl)-N-methylcyclohexanesulfonamide
CID 63397219
N-(2-chloropropyl)-2-ethoxy-N-methylethanesulfonamide
CID 63397266
N-(2-chloropropyl)-2-methoxy-N-methylethanesulfonamide
CID 63397267
N-(2-chloroethyl)-3-methoxy-N-propylpropane-1-sulfonamide
CID 63397344
N-(2-chloroethyl)-2-methoxy-N-propylethanesulfonamide
CID 63397532
N-(2-chloro-3-methoxypropyl)-N-methyloxane-4-sulfonamide
CID 63400493
N-(2-chloro-3-methoxypropyl)-3-methoxy-N-methylpropane-1-sulfonamide
CID 63400573

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide (CID 55186515) is N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide is COCC(Cl)CN(C)S(=O)(=O)C1CCCCC1.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide?
The InChIKey is QRILJYRHOPOJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO3S/c1-13(8-10(12)9-16-2)17(14,15)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide?
N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide has a molecular weight of 283.82 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-N-methylcyclohexanesulfonamide is sourced from PubChem (CID 55186515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).