N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine

C15H23NO3S — CID 64716512

IUPACN-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C15H23NO3S/c1-3-16-12-6-4-8-14(10-12)20(17,18)15-9-5-7-13(11-15)19-2/h5,7,9,11-12,14,16H,3-4,6,8,10H2,1-2H3
InChIKeyKZZGIPJUJIOVQA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.39
Rot. Bonds5

About N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine

N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine (PubChem CID 64716512) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine
PubChem CID64716512
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine
SMILESCCNC1CCCC(S(=O)(=O)c2cccc(OC)c2)C1
InChIInChI=1S/C15H23NO3S/c1-3-16-12-6-4-8-14(10-12)20(17,18)15-9-5-7-13(11-15)19-2/h5,7,9,11-12,14,16H,3-4,6,8,10H2,1-2H3
InChIKeyKZZGIPJUJIOVQA-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)sulfonylcycloheptan-1-amine
CID 64644761
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
3-(4-bromophenyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64716929
N-ethyl-3-(3-methoxyphenyl)sulfanylcyclopentan-1-amine
CID 64722463
3-(benzenesulfonyl)-N-propylcyclopentan-1-amine
CID 64722832
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
3-ethyl-N-[2-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 103698599
3-[(4-chlorophenyl)methylsulfonyl]-N-ethylcyclohexan-1-amine
CID 114792094
6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79848176

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine (CID 64716512) is N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine is CCNC1CCCC(S(=O)(=O)c2cccc(OC)c2)C1.
What is the InChIKey of N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine?
The InChIKey is KZZGIPJUJIOVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-16-12-6-4-8-14(10-12)20(17,18)15-9-5-7-13(11-15)19-2/h5,7,9,11-12,14,16H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine?
N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine has a molecular weight of 297.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methoxyphenyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64716512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).