3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane

C7H19N3O2S — CID 119972420

IUPAC3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
SMILESCCN(C)S(=O)(=O)NCCC(C)N
InChIInChI=1S/C7H19N3O2S/c1-4-10(3)13(11,12)9-6-5-7(2)8/h7,9H,4-6,8H2,1-3H3
InChIKeyDQRXZZAFOQFDEI-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.49
Rot. Bonds6

About 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane

3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane (PubChem CID 119972420) has the molecular formula C7H19N3O2S and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane.

Molecular Properties

Compound Name3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
PubChem CID119972420
Molecular FormulaC7H19N3O2S
Molecular Weight209.31 g/mol
Exact Mass209.12
IUPAC Name3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane
SMILESCCN(C)S(=O)(=O)NCCC(C)N
InChIInChI=1S/C7H19N3O2S/c1-4-10(3)13(11,12)9-6-5-7(2)8/h7,9H,4-6,8H2,1-3H3
InChIKeyDQRXZZAFOQFDEI-UHFFFAOYSA-N
XLogP-0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane?
The IUPAC name of 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane (CID 119972420) is 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane.
What is the SMILES notation for 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane?
The canonical SMILES for 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane is CCN(C)S(=O)(=O)NCCC(C)N.
What is the InChIKey of 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane?
The InChIKey is DQRXZZAFOQFDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O2S/c1-4-10(3)13(11,12)9-6-5-7(2)8/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane?
3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane has a molecular weight of 209.31 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[ethyl(methyl)sulfamoyl]amino]butane is sourced from PubChem (CID 119972420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).