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

C9H22N2O2S — CID 62575533

IUPACN'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-9(2)11(3)7-5-10-6-8-14(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyVWRZKIAAOLPLEF-UHFFFAOYSA-N
MW222.35 g/mol
LogP-0.04
Rot. Bonds7

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

N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62575533) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID62575533
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC NameN'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(C)CCNCCS(C)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-9(2)11(3)7-5-10-6-8-14(4,12)13/h9-10H,5-8H2,1-4H3
InChIKeyVWRZKIAAOLPLEF-UHFFFAOYSA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine (CID 62575533) is N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)N(C)CCNCCS(C)(=O)=O.
What is the InChIKey of N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is VWRZKIAAOLPLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-9(2)11(3)7-5-10-6-8-14(4,12)13/h9-10H,5-8H2,1-4H3.
What are the key properties of N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine?
N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 222.35 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62575533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).