2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine

C9H22N2O3S — CID 103152650

IUPAC2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine
SMILESCOC(CN)CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-11(6-7-15(3,12)13)5-4-9(8-10)14-2/h9H,4-8,10H2,1-3H3
InChIKeyPEMLTSIEMKHFRZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.67
Rot. Bonds8

About 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine

2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine (PubChem CID 103152650) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine
PubChem CID103152650
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine
SMILESCOC(CN)CCN(C)CCS(C)(=O)=O
InChIInChI=1S/C9H22N2O3S/c1-11(6-7-15(3,12)13)5-4-9(8-10)14-2/h9H,4-8,10H2,1-3H3
InChIKeyPEMLTSIEMKHFRZ-UHFFFAOYSA-N
XLogP-0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
CID 82683161
2-ethoxy-N'-methyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79849694
2-methoxy-N'-(3-methoxypropyl)-N'-methylbutane-1,4-diamine
CID 103152493
2-methoxy-N',N'-dimethylbutane-1,4-diamine
CID 83826305
methyl 4-[methyl(2-methylsulfonylethyl)amino]-2-(propylamino)butanoate
CID 79859194
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
2-methoxy-N'-methyl-N'-[(2-methylcyclopropyl)methyl]butane-1,4-diamine
CID 103152563
2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
CID 63190884
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
2-methoxy-4-phosphanylbutan-1-amine
CID 87619461

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine?
The IUPAC name of 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine (CID 103152650) is 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine?
The canonical SMILES for 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine is COC(CN)CCN(C)CCS(C)(=O)=O.
What is the InChIKey of 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine?
The InChIKey is PEMLTSIEMKHFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-11(6-7-15(3,12)13)5-4-9(8-10)14-2/h9H,4-8,10H2,1-3H3.
What are the key properties of 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine?
2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine has a molecular weight of 238.35 g/mol, XLogP of -0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-N'-(2-methylsulfonylethyl)butane-1,4-diamine is sourced from PubChem (CID 103152650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).