N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine

C9H22N2O2S — CID 103867342

IUPACN',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine
SMILESCCCS(=O)(=O)CCNCCN(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-8-14(12,13)9-6-10-5-7-11(2)3/h10H,4-9H2,1-3H3
InChIKeyPLXNVFGMOBGKTG-UHFFFAOYSA-N
MW222.35 g/mol
LogP-0.04
Rot. Bonds8

About N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine

N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine (PubChem CID 103867342) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine
PubChem CID103867342
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine
SMILESCCCS(=O)(=O)CCNCCN(C)C
InChIInChI=1S/C9H22N2O2S/c1-4-8-14(12,13)9-6-10-5-7-11(2)3/h10H,4-9H2,1-3H3
InChIKeyPLXNVFGMOBGKTG-UHFFFAOYSA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 5-0.04
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',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine (CID 103867342) is N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine is CCCS(=O)(=O)CCNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is PLXNVFGMOBGKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-4-8-14(12,13)9-6-10-5-7-11(2)3/h10H,4-9H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 222.35 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 103867342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).