N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine

C10H24N2O2S — CID 79858669

IUPACN,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-10(2,8-11-3)9-12(4)6-7-15(5,13)14/h11H,6-9H2,1-5H3
InChIKeyPDTGSXNPDQQTKC-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.21
Rot. Bonds7

About N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine

N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine (PubChem CID 79858669) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
PubChem CID79858669
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
SMILESCNCC(C)(C)CN(C)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-10(2,8-11-3)9-12(4)6-7-15(5,13)14/h11H,6-9H2,1-5H3
InChIKeyPDTGSXNPDQQTKC-UHFFFAOYSA-N
XLogP0.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The IUPAC name of N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine (CID 79858669) is N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine.
What is the SMILES notation for N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The canonical SMILES for N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine is CNCC(C)(C)CN(C)CCS(C)(=O)=O.
What is the InChIKey of N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
The InChIKey is PDTGSXNPDQQTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-10(2,8-11-3)9-12(4)6-7-15(5,13)14/h11H,6-9H2,1-5H3.
What are the key properties of N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine?
N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine is sourced from PubChem (CID 79858669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).