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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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).