N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine

C14H24N2O2S — CID 62585681

IUPACN'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-16(11-10-15-12(2)3)13-6-8-14(9-7-13)19(4,17)18/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyMXSIGXVUYOBMIA-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.91
Rot. Bonds7

About N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine

N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62585681) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62585681
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-16(11-10-15-12(2)3)13-6-8-14(9-7-13)19(4,17)18/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyMXSIGXVUYOBMIA-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-(difluoromethylsulfonyl)phenyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585680
N,N-diethyl-4-methylsulfonylaniline
CID 145223146
N-(2-chloroethyl)-4-methylsulfonyl-N-propylaniline
CID 55184252
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
4-methylsulfonyl-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606848
4-(4-methylsulfonylphenyl)sulfanyl-N-propan-2-ylbutan-1-amine
CID 55174437
N'-methyl-N-(2-methylpropyl)-N'-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62593739
2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55076924
N'-ethyl-N'-phenyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 54806369
N'-ethyl-N'-(2-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 60843081
N-[4-(diethylamino)phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 112984727
4-[2-aminoethyl(ethyl)amino]-N-methylbenzenesulfonamide
CID 63766633

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine (CID 62585681) is N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is MXSIGXVUYOBMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16(11-10-15-12(2)3)13-6-8-14(9-7-13)19(4,17)18/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine?
N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 284.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-methylsulfonylphenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62585681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).