2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine

C14H32N2O2S — CID 106722764

IUPAC2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCS(=O)(=O)C(C)C)C(CC)(CC)CN
InChIInChI=1S/C14H32N2O2S/c1-6-9-16(14(7-2,8-3)12-15)10-11-19(17,18)13(4)5/h13H,6-12,15H2,1-5H3
InChIKeyCEWKZWUUBDLVOA-UHFFFAOYSA-N
MW292.49 g/mol
LogP2.04
Rot. Bonds10

About 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine

2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine (PubChem CID 106722764) has the molecular formula C14H32N2O2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
PubChem CID106722764
Molecular FormulaC14H32N2O2S
Molecular Weight292.49 g/mol
Exact Mass292.22
IUPAC Name2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCS(=O)(=O)C(C)C)C(CC)(CC)CN
InChIInChI=1S/C14H32N2O2S/c1-6-9-16(14(7-2,8-3)12-15)10-11-19(17,18)13(4)5/h13H,6-12,15H2,1-5H3
InChIKeyCEWKZWUUBDLVOA-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284
2-ethyl-2-N-(2-methylbutyl)-2-N-propylbutane-1,2-diamine
CID 62103453
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
2-ethyl-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729796
2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
N-[3-(aminomethyl)pentan-3-yl]-N-ethylethanesulfonamide
CID 62008453
2-[ethyl(2-propan-2-ylsulfonylethyl)amino]ethanethioamide
CID 106724838
1-chloro-N,2-dimethyl-N-(2-propan-2-ylsulfonylethyl)propan-2-amine
CID 106731302
3-(aminomethyl)-3-[methyl(propan-2-ylsulfamoyl)amino]pentane
CID 114803908

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine (CID 106722764) is 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine is CCCN(CCS(=O)(=O)C(C)C)C(CC)(CC)CN.
What is the InChIKey of 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
The InChIKey is CEWKZWUUBDLVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2S/c1-6-9-16(14(7-2,8-3)12-15)10-11-19(17,18)13(4)5/h13H,6-12,15H2,1-5H3.
What are the key properties of 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine has a molecular weight of 292.49 g/mol, XLogP of 2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(2-propan-2-ylsulfonylethyl)-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 106722764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).