N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine

C16H26N2O2S — CID 63765668

IUPACN'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1N(CCN)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-21(19,20)16-11-7-6-10-15(16)18(13-12-17)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13,17H2,1H3
InChIKeySWIVRWGSOYHIIC-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.58
Rot. Bonds6

About N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine

N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 63765668) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
PubChem CID63765668
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1N(CCN)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-2-21(19,20)16-11-7-6-10-15(16)18(13-12-17)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13,17H2,1H3
InChIKeySWIVRWGSOYHIIC-UHFFFAOYSA-N
XLogP2.58
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
CID 63759021
N-(2-chloroethyl)-N-cyclohexyl-2-ethylsulfonylaniline
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N'-cyclohexyl-N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 60870635
2-[2-aminoethyl(cyclobutyl)amino]-N-propylbenzenesulfonamide
CID 102874822
2-[3-aminopropyl(cyclobutyl)amino]benzenesulfonamide
CID 102874536
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CID 102871385
N-(2-bromoethyl)-N-cyclopentyl-2-methylsulfonylaniline
CID 80669660
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
N-(3-chloropropyl)-N-cyclobutyl-2-methylsulfonylaniline
CID 102871484
2-[N-cyclobutyl-2-(difluoromethylsulfonyl)anilino]ethanol
CID 102868971
1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine
CID 56831959
N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine (CID 63765668) is N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine is CCS(=O)(=O)c1ccccc1N(CCN)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is SWIVRWGSOYHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-2-21(19,20)16-11-7-6-10-15(16)18(13-12-17)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13,17H2,1H3.
What are the key properties of N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 310.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63765668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).