1-(propan-2-ylamino)-3-(sulfamoylamino)propane

C6H17N3O2S — CID 114959323

IUPAC1-(propan-2-ylamino)-3-(sulfamoylamino)propane
SMILESCC(C)NCCCNS(N)(=O)=O
InChIInChI=1S/C6H17N3O2S/c1-6(2)8-4-3-5-9-12(7,10)11/h6,8-9H,3-5H2,1-2H3,(H2,7,10,11)
InChIKeyVUALOUOUMHLLES-UHFFFAOYSA-N
MW195.29 g/mol
LogP-0.83
Rot. Bonds6

About 1-(propan-2-ylamino)-3-(sulfamoylamino)propane

1-(propan-2-ylamino)-3-(sulfamoylamino)propane (PubChem CID 114959323) has the molecular formula C6H17N3O2S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(sulfamoylamino)propane
PubChem CID114959323
Molecular FormulaC6H17N3O2S
Molecular Weight195.29 g/mol
Exact Mass195.10
IUPAC Name1-(propan-2-ylamino)-3-(sulfamoylamino)propane
SMILESCC(C)NCCCNS(N)(=O)=O
InChIInChI=1S/C6H17N3O2S/c1-6(2)8-4-3-5-9-12(7,10)11/h6,8-9H,3-5H2,1-2H3,(H2,7,10,11)
InChIKeyVUALOUOUMHLLES-UHFFFAOYSA-N
XLogP-0.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(propan-2-ylamino)-3-(sulfamoylamino)propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-(propan-2-ylamino)propylsulfamoyl]propanoate
CID 54951523
1-methylsulfonyl-3-(sulfamoylamino)propane
CID 112686404
azane;1-(sulfamoylamino)pentane
CID 87509026
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
4-methylsulfonyl-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606848
3-(sulfamoylamino)propane-1-sulfonamide
CID 112689045
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
3,5-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606868
N-[3-(propan-2-ylamino)propyl]morpholine-4-sulfonamide
CID 43606820
5-methyl-N-[3-(propan-2-ylamino)propyl]-1H-pyrazole-4-sulfonamide
CID 54930150
2,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606877

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(sulfamoylamino)propane?
The IUPAC name of 1-(propan-2-ylamino)-3-(sulfamoylamino)propane (CID 114959323) is 1-(propan-2-ylamino)-3-(sulfamoylamino)propane.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(sulfamoylamino)propane?
The canonical SMILES for 1-(propan-2-ylamino)-3-(sulfamoylamino)propane is CC(C)NCCCNS(N)(=O)=O.
What is the InChIKey of 1-(propan-2-ylamino)-3-(sulfamoylamino)propane?
The InChIKey is VUALOUOUMHLLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2S/c1-6(2)8-4-3-5-9-12(7,10)11/h6,8-9H,3-5H2,1-2H3,(H2,7,10,11).
What are the key properties of 1-(propan-2-ylamino)-3-(sulfamoylamino)propane?
1-(propan-2-ylamino)-3-(sulfamoylamino)propane has a molecular weight of 195.29 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(sulfamoylamino)propane is sourced from PubChem (CID 114959323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).