1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine

C8H20N2O2S — CID 104519164

IUPAC1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine
SMILESCNCC(C)NCC(C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(5-9-3)10-6-8(2)13(4,11)12/h7-10H,5-6H2,1-4H3
InChIKeySDHFRMGBVZSJRQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP-0.38
Rot. Bonds6

About 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine

1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine (PubChem CID 104519164) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine
PubChem CID104519164
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC Name1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine
SMILESCNCC(C)NCC(C)S(C)(=O)=O
InChIInChI=1S/C8H20N2O2S/c1-7(5-9-3)10-6-8(2)13(4,11)12/h7-10H,5-6H2,1-4H3
InChIKeySDHFRMGBVZSJRQ-UHFFFAOYSA-N
XLogP-0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine (CID 104519164) is 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine is CNCC(C)NCC(C)S(C)(=O)=O.
What is the InChIKey of 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine?
The InChIKey is SDHFRMGBVZSJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-7(5-9-3)10-6-8(2)13(4,11)12/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine?
1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine has a molecular weight of 208.33 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-(2-methylsulfonylpropyl)propane-1,2-diamine is sourced from PubChem (CID 104519164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).