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

C10H24N2O2S — CID 62575629

IUPACN'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNCCS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H24N2O2S/c1-5-12(10(2)3)8-6-11-7-9-15(4,13)14/h10-11H,5-9H2,1-4H3
InChIKeyHSTLSRPWNWGNAY-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.35
Rot. Bonds8

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

N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62575629) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62575629
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNCCS(C)(=O)=O)C(C)C
InChIInChI=1S/C10H24N2O2S/c1-5-12(10(2)3)8-6-11-7-9-15(4,13)14/h10-11H,5-9H2,1-4H3
InChIKeyHSTLSRPWNWGNAY-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine (CID 62575629) is N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine is CCN(CCNCCS(C)(=O)=O)C(C)C.
What is the InChIKey of N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HSTLSRPWNWGNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-12(10(2)3)8-6-11-7-9-15(4,13)14/h10-11H,5-9H2,1-4H3.
What are the key properties of N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62575629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).