N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine

C11H26N2O2S — CID 62574298

IUPACN-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNCCS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-4-8-13(9-5-2)10-6-12-7-11-16(3,14)15/h12H,4-11H2,1-3H3
InChIKeyPKBBYKPCYINHCG-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.74
Rot. Bonds10

About N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine

N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine (PubChem CID 62574298) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
PubChem CID62574298
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
SMILESCCCN(CCC)CCNCCS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-4-8-13(9-5-2)10-6-12-7-11-16(3,14)15/h12H,4-11H2,1-3H3
InChIKeyPKBBYKPCYINHCG-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
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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Related Compounds

N'-ethyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089721
N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62554317
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79482047
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79859242
N-(2-bromoethyl)-N',N'-dipropylethane-1,2-diamine
CID 46738413
N-(2-iodoethyl)-2-methylsulfonylethanamine
CID 114505554
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N-(2-methylsulfonylethyl)nonan-1-amine
CID 60918921
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560122
[2-methylsulfonylethyl(propyl)amino]methanol
CID 174108429
N-(2-methylsulfonylethyl)-2-(2-propoxyethoxy)ethanamine
CID 63685909

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine?
The IUPAC name of N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine (CID 62574298) is N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine?
The canonical SMILES for N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine is CCCN(CCC)CCNCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine?
The InChIKey is PKBBYKPCYINHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-4-8-13(9-5-2)10-6-12-7-11-16(3,14)15/h12H,4-11H2,1-3H3.
What are the key properties of N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine?
N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.74, 10 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'-dipropylethane-1,2-diamine is sourced from PubChem (CID 62574298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).