N-(2-ethylsulfonylphenyl)cycloheptanamine

C15H23NO2S — CID 43453589

IUPACN-(2-ethylsulfonylphenyl)cycloheptanamine
SMILESCCS(=O)(=O)c1ccccc1NC1CCCCCC1
InChIInChI=1S/C15H23NO2S/c1-2-19(17,18)15-12-8-7-11-14(15)16-13-9-5-3-4-6-10-13/h7-8,11-13,16H,2-6,9-10H2,1H3
InChIKeyRGSXGZWZQNMAKH-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.61
Rot. Bonds4

About N-(2-ethylsulfonylphenyl)cycloheptanamine

N-(2-ethylsulfonylphenyl)cycloheptanamine (PubChem CID 43453589) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)cycloheptanamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)cycloheptanamine
PubChem CID43453589
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-ethylsulfonylphenyl)cycloheptanamine
SMILESCCS(=O)(=O)c1ccccc1NC1CCCCCC1
InChIInChI=1S/C15H23NO2S/c1-2-19(17,18)15-12-8-7-11-14(15)16-13-9-5-3-4-6-10-13/h7-8,11-13,16H,2-6,9-10H2,1H3
InChIKeyRGSXGZWZQNMAKH-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
CID 64500030
N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
CID 61465017
N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
2-(cycloheptylamino)-N-cyclopropylbenzenesulfonamide
CID 43454674
2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
CID 100666033

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)cycloheptanamine?
The IUPAC name of N-(2-ethylsulfonylphenyl)cycloheptanamine (CID 43453589) is N-(2-ethylsulfonylphenyl)cycloheptanamine.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)cycloheptanamine?
The canonical SMILES for N-(2-ethylsulfonylphenyl)cycloheptanamine is CCS(=O)(=O)c1ccccc1NC1CCCCCC1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)cycloheptanamine?
The InChIKey is RGSXGZWZQNMAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-2-19(17,18)15-12-8-7-11-14(15)16-13-9-5-3-4-6-10-13/h7-8,11-13,16H,2-6,9-10H2,1H3.
What are the key properties of N-(2-ethylsulfonylphenyl)cycloheptanamine?
N-(2-ethylsulfonylphenyl)cycloheptanamine has a molecular weight of 281.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)cycloheptanamine is sourced from PubChem (CID 43453589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).