N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine

C7H18N2O2S — CID 63190884

IUPACN'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
SMILESCN(CCN)CCCS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-9(6-4-8)5-3-7-12(2,10)11/h3-8H2,1-2H3
InChIKeyALDFXOAYFLOOAH-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.69
Rot. Bonds6

About N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine

N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine (PubChem CID 63190884) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
PubChem CID63190884
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine
SMILESCN(CCN)CCCS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-9(6-4-8)5-3-7-12(2,10)11/h3-8H2,1-2H3
InChIKeyALDFXOAYFLOOAH-UHFFFAOYSA-N
XLogP-0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190976
N'-hydroxy-2-[methyl(3-methylsulfonylpropyl)amino]ethanimidamide
CID 76988192
N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
CID 82683161
(E)-N-methyl-N-(3-methylsulfonylpropyl)but-2-en-1-amine
CID 144566520
9-methylsulfonylnonan-1-amine
CID 101417644
N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
ethane;(E)-N-methyl-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
CID 144566602
2-methyl-3-[methyl(3-methylsulfonylpropyl)amino]propanenitrile
CID 63191826
N'-[[[[2-aminoethyl(methyl)amino]methyl-dimethyl-λ4-sulfanyl]oxy-dimethyl-λ4-sulfanyl]methyl]-N'-methylethane-1,2-diamine
CID 171794868
N-methyl-N-(3-methylsulfonylpropyl)acetamide
CID 23402949
[4-[[methyl(3-methylsulfonylpropyl)amino]methyl]phenyl]methanol
CID 110009651

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine (CID 63190884) is N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine is CN(CCN)CCCS(C)(=O)=O.
What is the InChIKey of N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine?
The InChIKey is ALDFXOAYFLOOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-9(6-4-8)5-3-7-12(2,10)11/h3-8H2,1-2H3.
What are the key properties of N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine?
N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine has a molecular weight of 194.30 g/mol, XLogP of -0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylsulfonylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 63190884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).