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

C11H26N2O2S — CID 62560180

IUPACN-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCS(C)(=O)=O)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-5-8-13(11(2)3)9-6-12-7-10-16(4,14)15/h11-12H,5-10H2,1-4H3
InChIKeySPZCTFMXYYDAKS-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.74
Rot. Bonds9

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

N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (PubChem CID 62560180) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
PubChem CID62560180
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNCCS(C)(=O)=O)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-5-8-13(11(2)3)9-6-12-7-10-16(4,14)15/h11-12H,5-10H2,1-4H3
InChIKeySPZCTFMXYYDAKS-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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'-propan-2-yl-N'-propylethane-1,2-diamine?
The IUPAC name of N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine (CID 62560180) is N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is CCCN(CCNCCS(C)(=O)=O)C(C)C.
What is the InChIKey of N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
The InChIKey is SPZCTFMXYYDAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-8-13(11(2)3)9-6-12-7-10-16(4,14)15/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine?
N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62560180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).