2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine

C11H26N2O2S — CID 106722748

IUPAC2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine
SMILESCCCS(=O)(=O)CCN(CC)C(C)(C)CN
InChIInChI=1S/C11H26N2O2S/c1-5-8-16(14,15)9-7-13(6-2)11(3,4)10-12/h5-10,12H2,1-4H3
InChIKeyJLFFJIAFPNWTPJ-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.87
Rot. Bonds8

About 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine

2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine (PubChem CID 106722748) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine
PubChem CID106722748
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine
SMILESCCCS(=O)(=O)CCN(CC)C(C)(C)CN
InChIInChI=1S/C11H26N2O2S/c1-5-8-16(14,15)9-7-13(6-2)11(3,4)10-12/h5-10,12H2,1-4H3
InChIKeyJLFFJIAFPNWTPJ-UHFFFAOYSA-N
XLogP0.87
TPSA63.40 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine
CID 62010164
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]ethanol
CID 28759304
1-propylsulfonylpropane
CID 11709
2,2-dimethyl-5-propylsulfonylpentan-1-amine
CID 65263142
2-propylsulfonylethanamine;hydrochloride
CID 87608994
3-(aminomethyl)-3-methyl-5-propylsulfonylpentan-2-ol
CID 106734029
2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 62010161
4-(aminomethyl)-4-methyl-1-propylsulfonylhexan-3-one
CID 106736910
2-methyl-1-propylsulfonylpropan-2-amine
CID 81189137
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
N-(1-amino-2-methylbutan-2-yl)-N-ethylpropane-1-sulfonamide
CID 62009447
2-N-(3-methoxy-3-methylbutyl)-2-methyl-2-N-propylpropane-1,2-diamine
CID 103033017

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine (CID 106722748) is 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine is CCCS(=O)(=O)CCN(CC)C(C)(C)CN.
What is the InChIKey of 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine?
The InChIKey is JLFFJIAFPNWTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-8-16(14,15)9-7-13(6-2)11(3,4)10-12/h5-10,12H2,1-4H3.
What are the key properties of 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine?
2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-methyl-2-N-(2-propylsulfonylethyl)propane-1,2-diamine is sourced from PubChem (CID 106722748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).