1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine

C15H30N2O2S — CID 139816890

IUPAC1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine
SMILESCS(=O)(=O)C(N)(C1CCCCC1)C(N)C1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-20(18,19)15(17,13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h12-14H,2-11,16-17H2,1H3
InChIKeyHBBAQXOTQRPZPV-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.17
Rot. Bonds4

About 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine

1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine (PubChem CID 139816890) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine.

Molecular Properties

Compound Name1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine
PubChem CID139816890
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC Name1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine
SMILESCS(=O)(=O)C(N)(C1CCCCC1)C(N)C1CCCCC1
InChIInChI=1S/C15H30N2O2S/c1-20(18,19)15(17,13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h12-14H,2-11,16-17H2,1H3
InChIKeyHBBAQXOTQRPZPV-UHFFFAOYSA-N
XLogP2.17
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine?
The IUPAC name of 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine (CID 139816890) is 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine.
What is the SMILES notation for 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine?
The canonical SMILES for 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine is CS(=O)(=O)C(N)(C1CCCCC1)C(N)C1CCCCC1.
What is the InChIKey of 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine?
The InChIKey is HBBAQXOTQRPZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-20(18,19)15(17,13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12/h12-14H,2-11,16-17H2,1H3.
What are the key properties of 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine?
1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine has a molecular weight of 302.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-1-methylsulfonylethane-1,2-diamine is sourced from PubChem (CID 139816890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).