N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C11H26N2O2S — CID 60711888

IUPACN-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCS(C)(=O)=O)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2)13(11(3)4)8-6-12-7-9-16(5,14)15/h10-12H,6-9H2,1-5H3
InChIKeyHQOSVCGIYORYCS-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.74
Rot. Bonds8

About N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 60711888) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID60711888
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCS(C)(=O)=O)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-10(2)13(11(3)4)8-6-12-7-9-16(5,14)15/h10-12H,6-9H2,1-5H3
InChIKeyHQOSVCGIYORYCS-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.74
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-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 60711888) is N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCCS(C)(=O)=O)C(C)C.
What is the InChIKey of N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is HQOSVCGIYORYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-10(2)13(11(3)4)8-6-12-7-9-16(5,14)15/h10-12H,6-9H2,1-5H3.
What are the key properties of N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 60711888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).