1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine

C7H19N3O3S — CID 63765262

IUPAC1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C7H19N3O3S/c1-9(2)14(11,12)10(3)5-7(8)6-13-4/h7H,5-6,8H2,1-4H3
InChIKeyAGSFSGYEASANQC-UHFFFAOYSA-N
MW225.31 g/mol
LogP-1.30
Rot. Bonds6

About 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine

1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine (PubChem CID 63765262) has the molecular formula C7H19N3O3S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine
PubChem CID63765262
Molecular FormulaC7H19N3O3S
Molecular Weight225.31 g/mol
Exact Mass225.11
IUPAC Name1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCOCC(N)CN(C)S(=O)(=O)N(C)C
InChIInChI=1S/C7H19N3O3S/c1-9(2)14(11,12)10(3)5-7(8)6-13-4/h7H,5-6,8H2,1-4H3
InChIKeyAGSFSGYEASANQC-UHFFFAOYSA-N
XLogP-1.30
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine (CID 63765262) is 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine is COCC(N)CN(C)S(=O)(=O)N(C)C.
What is the InChIKey of 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The InChIKey is AGSFSGYEASANQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3S/c1-9(2)14(11,12)10(3)5-7(8)6-13-4/h7H,5-6,8H2,1-4H3.
What are the key properties of 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine has a molecular weight of 225.31 g/mol, XLogP of -1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(dimethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63765262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).