N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine

C10H24N2O2S — CID 82683161

IUPACN',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
SMILESCC(CN)CCCN(C)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-10(9-11)5-4-6-12(2)7-8-15(3,13)14/h10H,4-9,11H2,1-3H3
InChIKeyQUPQFHXZLYLTPZ-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.34
Rot. Bonds8

About N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine

N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine (PubChem CID 82683161) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
PubChem CID82683161
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine
SMILESCC(CN)CCCN(C)CCS(C)(=O)=O
InChIInChI=1S/C10H24N2O2S/c1-10(9-11)5-4-6-12(2)7-8-15(3,13)14/h10H,4-9,11H2,1-3H3
InChIKeyQUPQFHXZLYLTPZ-UHFFFAOYSA-N
XLogP0.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine?
The IUPAC name of N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine (CID 82683161) is N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine?
The canonical SMILES for N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine is CC(CN)CCCN(C)CCS(C)(=O)=O.
What is the InChIKey of N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine?
The InChIKey is QUPQFHXZLYLTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-10(9-11)5-4-6-12(2)7-8-15(3,13)14/h10H,4-9,11H2,1-3H3.
What are the key properties of N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine?
N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(2-methylsulfonylethyl)pentane-1,5-diamine is sourced from PubChem (CID 82683161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).