N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

C12H28N2O2S — CID 79661692

IUPACN'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCS(=O)(=O)CC)CC(C)(C)CN
InChIInChI=1S/C12H28N2O2S/c1-5-7-14(11-12(3,4)10-13)8-9-17(15,16)6-2/h5-11,13H2,1-4H3
InChIKeyXIKCCMOFQKVUJB-UHFFFAOYSA-N
MW264.43 g/mol
LogP1.12
Rot. Bonds9

About N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79661692) has the molecular formula C12H28N2O2S and a molecular weight of 264.43 g/mol. Its IUPAC name is N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79661692
Molecular FormulaC12H28N2O2S
Molecular Weight264.43 g/mol
Exact Mass264.19
IUPAC NameN'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CCS(=O)(=O)CC)CC(C)(C)CN
InChIInChI=1S/C12H28N2O2S/c1-5-7-14(11-12(3,4)10-13)8-9-17(15,16)6-2/h5-11,13H2,1-4H3
InChIKeyXIKCCMOFQKVUJB-UHFFFAOYSA-N
XLogP1.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Bis(3-aminopropyl)-methylazaniumyl]propane-1-sulfonate
CID 54674909
2-Tert-butylsulfonylethyl(diethyl)azanium
CID 58785814
2,2-dimethyl-N-(2-methylsulfonylethyl)propan-1-amine
CID 61167022
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine
CID 61348835
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
CID 61349406
N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine
CID 87515554
3-((3-Aminopropyl)dimethylammonio)propane-1-sulfonate
CID 90024269
[6-(Aminomethyl)-4-methyl-1,1-dioxo-1,4-thiazinan-2-yl]methanamine
CID 117810192
N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine
CID 143697642
N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine
CID 148915817
3-Aminopropyl-ethyl-dimethylazanium;ethanesulfonate
CID 157684897
1-[3-Aminopropyl(dimethyl)azaniumyl]propane-2-sulfonate
CID 172772506

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79661692) is N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CCS(=O)(=O)CC)CC(C)(C)CN.
What is the InChIKey of N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is XIKCCMOFQKVUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O2S/c1-5-7-14(11-12(3,4)10-13)8-9-17(15,16)6-2/h5-11,13H2,1-4H3.
What are the key properties of N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 264.43 g/mol, XLogP of 1.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79661692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).