1-[amino(sulfamoyl)amino]propane

C3H11N3O2S — CID 90113026

IUPAC1-[amino(sulfamoyl)amino]propane
SMILESCCCN(N)S(N)(=O)=O
InChIInChI=1S/C3H11N3O2S/c1-2-3-6(4)9(5,7)8/h2-4H2,1H3,(H2,5,7,8)
InChIKeyBGRMDNBBBRDDSE-UHFFFAOYSA-N
MW153.21 g/mol
LogP-1.22
Rot. Bonds3

About 1-[amino(sulfamoyl)amino]propane

1-[amino(sulfamoyl)amino]propane (PubChem CID 90113026) has the molecular formula C3H11N3O2S and a molecular weight of 153.21 g/mol. Its IUPAC name is 1-[amino(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1-[amino(sulfamoyl)amino]propane
PubChem CID90113026
Molecular FormulaC3H11N3O2S
Molecular Weight153.21 g/mol
Exact Mass153.06
IUPAC Name1-[amino(sulfamoyl)amino]propane
SMILESCCCN(N)S(N)(=O)=O
InChIInChI=1S/C3H11N3O2S/c1-2-3-6(4)9(5,7)8/h2-4H2,1H3,(H2,5,7,8)
InChIKeyBGRMDNBBBRDDSE-UHFFFAOYSA-N
XLogP-1.22
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
N,N-dipropylpropan-1-amine;propane
CID 174574210
N-[2-[2-(dipropylamino)ethylsulfonyl]ethyl]-N-ethylpropan-1-amine
CID 123795315
3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide
CID 112689923
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
1-(dibutylamino)ethanesulfonamide
CID 87395686
[2-methylsulfonylethyl(propyl)amino]methanol
CID 174108429
copper;N,N,N',N'-tetrapropylethane-1,2-diamine;bis(trifluoromethanesulfonate)
CID 173220495
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
N,N-dipropylpropan-1-amine;methanone;2-methylpropane;ruthenium(4+)
CID 169317196
N,N-diethylethanamine;N,N-dipropylpropan-1-amine
CID 22257187

Frequently Asked Questions

What is the IUPAC name of 1-[amino(sulfamoyl)amino]propane?
The IUPAC name of 1-[amino(sulfamoyl)amino]propane (CID 90113026) is 1-[amino(sulfamoyl)amino]propane.
What is the SMILES notation for 1-[amino(sulfamoyl)amino]propane?
The canonical SMILES for 1-[amino(sulfamoyl)amino]propane is CCCN(N)S(N)(=O)=O.
What is the InChIKey of 1-[amino(sulfamoyl)amino]propane?
The InChIKey is BGRMDNBBBRDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O2S/c1-2-3-6(4)9(5,7)8/h2-4H2,1H3,(H2,5,7,8).
What are the key properties of 1-[amino(sulfamoyl)amino]propane?
1-[amino(sulfamoyl)amino]propane has a molecular weight of 153.21 g/mol, XLogP of -1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(sulfamoyl)amino]propane is sourced from PubChem (CID 90113026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).