3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine

C14H24N2O2S — CID 106725980

IUPAC3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine
SMILESCCN(CCS(=O)(=O)C(C)(C)C)c1cccc(N)c1
InChIInChI=1S/C14H24N2O2S/c1-5-16(13-8-6-7-12(15)11-13)9-10-19(17,18)14(2,3)4/h6-8,11H,5,9-10,15H2,1-4H3
InChIKeyHSUKGPMEWKETKC-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.31
Rot. Bonds5

About 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine

3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine (PubChem CID 106725980) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine
PubChem CID106725980
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine
SMILESCCN(CCS(=O)(=O)C(C)(C)C)c1cccc(N)c1
InChIInChI=1S/C14H24N2O2S/c1-5-16(13-8-6-7-12(15)11-13)9-10-19(17,18)14(2,3)4/h6-8,11H,5,9-10,15H2,1-4H3
InChIKeyHSUKGPMEWKETKC-UHFFFAOYSA-N
XLogP2.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-(2-tert-butylsulfonylethyl)-N-ethylaniline
CID 106722660
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-N-ethyl-3-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,3-diamine
CID 116616304
3-N-(3-methylsulfonylpropyl)-3-N-propylbenzene-1,3-diamine
CID 55175556
3-N-ethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 107912737
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
3-(3-amino-N-propylanilino)-2,2-dimethylpropanoic acid
CID 79624524
3-N-ethyl-3-N-[3-(2-methoxyethoxy)propyl]benzene-1,3-diamine
CID 103410198

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine (CID 106725980) is 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine is CCN(CCS(=O)(=O)C(C)(C)C)c1cccc(N)c1.
What is the InChIKey of 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine?
The InChIKey is HSUKGPMEWKETKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16(13-8-6-7-12(15)11-13)9-10-19(17,18)14(2,3)4/h6-8,11H,5,9-10,15H2,1-4H3.
What are the key properties of 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine?
3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-tert-butylsulfonylethyl)-3-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 106725980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).