1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine

C16H26N2O2S — CID 56831959

IUPAC1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine
SMILESCCN(c1ccc(S(=O)(=O)CC)c(N)c1)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-3-18(13-8-6-5-7-9-13)14-10-11-16(15(17)12-14)21(19,20)4-2/h10-13H,3-9,17H2,1-2H3
InChIKeyAHFPRSWBMQYBOE-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.22
Rot. Bonds5

About 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine

1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine (PubChem CID 56831959) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine
PubChem CID56831959
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine
SMILESCCN(c1ccc(S(=O)(=O)CC)c(N)c1)C1CCCCC1
InChIInChI=1S/C16H26N2O2S/c1-3-18(13-8-6-5-7-9-13)14-10-11-16(15(17)12-14)21(19,20)4-2/h10-13H,3-9,17H2,1-2H3
InChIKeyAHFPRSWBMQYBOE-UHFFFAOYSA-N
XLogP3.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine?
The IUPAC name of 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine (CID 56831959) is 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine?
The canonical SMILES for 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine is CCN(c1ccc(S(=O)(=O)CC)c(N)c1)C1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine?
The InChIKey is AHFPRSWBMQYBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-18(13-8-6-5-7-9-13)14-10-11-16(15(17)12-14)21(19,20)4-2/h10-13H,3-9,17H2,1-2H3.
What are the key properties of 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine?
1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine has a molecular weight of 310.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-1-N-ethyl-4-ethylsulfonylbenzene-1,3-diamine is sourced from PubChem (CID 56831959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).