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

C9H23N3O3S — CID 63764888

IUPAC1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(C)CC(N)COC
InChIInChI=1S/C9H23N3O3S/c1-5-12(6-2)16(13,14)11(3)7-9(10)8-15-4/h9H,5-8,10H2,1-4H3
InChIKeyQSEPKMMTSPAJJE-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.52
Rot. Bonds8

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

1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine (PubChem CID 63764888) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine
PubChem CID63764888
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC Name1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(C)CC(N)COC
InChIInChI=1S/C9H23N3O3S/c1-5-12(6-2)16(13,14)11(3)7-9(10)8-15-4/h9H,5-8,10H2,1-4H3
InChIKeyQSEPKMMTSPAJJE-UHFFFAOYSA-N
XLogP-0.52
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-methoxy-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propane
CID 114812786
2-[2-Methoxyethylsulfamoyl(methyl)amino]propane
CID 60768699
2-(4-Methoxybutan-2-yl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 173226597
2-(Dimethylsulfamoylamino)-1-methoxypropane
CID 3285501
N-(1-methoxypropan-2-yl)piperazine-1-sulfonamide
CID 43209644
N-[2-[butan-2-yl(methyl)amino]ethyl]morpholine-4-sulfonamide
CID 53613511
N-(1-methoxypropan-2-yl)-N-methyl-1,4-diazepane-1-sulfonamide
CID 54946918
N'-[cyclopropyl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 54952255
N-butan-2-yl-N-(2-methoxyethyl)piperazine-1-sulfonamide
CID 54999491
N-butan-2-yl-N-(2-methoxyethyl)-1,4-diazepane-1-sulfonamide
CID 54999492
N'-[butan-2-yl(2-methoxyethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 54999903
N'-[2-methoxyethyl(pentan-3-yl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55002624

Frequently Asked Questions

What is the IUPAC name of 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine (CID 63764888) is 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine is CCN(CC)S(=O)(=O)N(C)CC(N)COC.
What is the InChIKey of 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
The InChIKey is QSEPKMMTSPAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-5-12(6-2)16(13,14)11(3)7-9(10)8-15-4/h9H,5-8,10H2,1-4H3.
What are the key properties of 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine?
1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine has a molecular weight of 253.37 g/mol, XLogP of -0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(diethylsulfamoyl)-3-methoxy-1-N-methylpropane-1,2-diamine is sourced from PubChem (CID 63764888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).