3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine

C14H24N2O2S — CID 106165647

IUPAC3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,10-11-15)16-12-6-8-13(9-7-12)19(17,18)5-2/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyWABDIECTLMAJBI-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.41
Rot. Bonds7

About 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine

3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine (PubChem CID 106165647) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
PubChem CID106165647
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-14(3,10-11-15)16-12-6-8-13(9-7-12)19(17,18)5-2/h6-9,16H,4-5,10-11,15H2,1-3H3
InChIKeyWABDIECTLMAJBI-UHFFFAOYSA-N
XLogP2.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-amino-3-methylpentan-3-yl)sulfamoyl]phenyl]acetamide
CID 106165353
4-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171205
N-(2,2-dimethylbutyl)-4-ethylsulfonylaniline
CID 103462508
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4-ethylsulfonylaniline
CID 107867414
N-ethyl-4-[(1-hydroxy-3-methylpentan-3-yl)amino]benzenesulfonamide
CID 106171712
N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline
CID 114111360
4-(aminomethyl)-N-(3-methylhexan-3-yl)aniline
CID 174182706
2,4-dimethyl-2-N-(4-propylsulfonylphenyl)pentane-1,2-diamine
CID 115310185
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
2-(4-ethylsulfonylphenyl)-2-methylpropan-1-amine
CID 82477614
1-(4-ethylsulfonylphenyl)-2-methylpropan-2-ol
CID 116928680
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 64558207

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine?
The IUPAC name of 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine (CID 106165647) is 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine is CCC(C)(CCN)Nc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine?
The InChIKey is WABDIECTLMAJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-14(3,10-11-15)16-12-6-8-13(9-7-12)19(17,18)5-2/h6-9,16H,4-5,10-11,15H2,1-3H3.
What are the key properties of 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine?
3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylsulfonylphenyl)-3-methylpentane-1,3-diamine is sourced from PubChem (CID 106165647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).