N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine

C11H26N2O2S — CID 79850305

IUPACN,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(CNC(C)C)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-10(2)12-8-11(3)9-13(4)6-7-16(5,14)15/h10-12H,6-9H2,1-5H3
InChIKeyYNJZCWLEZULFSP-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.60
Rot. Bonds8

About N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine

N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 79850305) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID79850305
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(CNC(C)C)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C11H26N2O2S/c1-10(2)12-8-11(3)9-13(4)6-7-16(5,14)15/h10-12H,6-9H2,1-5H3
InChIKeyYNJZCWLEZULFSP-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-1-N-(2-methylsulfonylethyl)-2-N-propylbutane-1,2-diamine
CID 79850617
N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190976
N-(2,2-dimethylpropyl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62462801
2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propanehydrazide
CID 79858043
2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
CID 79849960
N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
CID 82683161
3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850353
2-methyl-1-[methyl-[2-methyl-3-(propan-2-ylamino)propyl]amino]propan-2-ol
CID 79390220
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
N-methyl-N-(2-methylsulfonylethyl)-3-(propan-2-ylamino)propanamide
CID 79859155
3-N-ethyl-1-N,2,2-trimethyl-1-N-(2-methylsulfonylethyl)butane-1,3-diamine
CID 79858101
1-cyclohexyl-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 104746719

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine (CID 79850305) is N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine is CC(CNC(C)C)CN(C)CCS(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is YNJZCWLEZULFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-10(2)12-8-11(3)9-13(4)6-7-16(5,14)15/h10-12H,6-9H2,1-5H3.
What are the key properties of N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine?
N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-methylsulfonylethyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 79850305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).