3-(sulfamoylamino)propane-1-sulfonamide

C3H11N3O4S2 — CID 112689045

IUPAC3-(sulfamoylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C3H11N3O4S2/c4-11(7,8)3-1-2-6-12(5,9)10/h6H,1-3H2,(H2,4,7,8)(H2,5,9,10)
InChIKeyVIJMVUQRLPMTNX-UHFFFAOYSA-N
MW217.27 g/mol
LogP-2.54
Rot. Bonds5

About 3-(sulfamoylamino)propane-1-sulfonamide

3-(sulfamoylamino)propane-1-sulfonamide (PubChem CID 112689045) has the molecular formula C3H11N3O4S2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(sulfamoylamino)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(sulfamoylamino)propane-1-sulfonamide
PubChem CID112689045
Molecular FormulaC3H11N3O4S2
Molecular Weight217.27 g/mol
Exact Mass217.02
IUPAC Name3-(sulfamoylamino)propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C3H11N3O4S2/c4-11(7,8)3-1-2-6-12(5,9)10/h6H,1-3H2,(H2,4,7,8)(H2,5,9,10)
InChIKeyVIJMVUQRLPMTNX-UHFFFAOYSA-N
XLogP-2.54
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-2.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfonyl-3-(sulfamoylamino)propane
CID 112686404
propane-1,3-disulfonamide
CID 22153832
4-(sulfamoylamino)butanamide
CID 112684755
azane;1-(sulfamoylamino)pentane
CID 87509026
dodecane-1,12-disulfonamide
CID 57288842
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
1-(propan-2-ylamino)-3-(sulfamoylamino)propane
CID 114959323
1-methylsulfonyl-2-(sulfamoylamino)ethane
CID 112688958
1-cyano-4-(sulfamoylamino)butane
CID 112689559
CID 175918224
CID 175918224
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
CID 61457286
2-methoxy-N-(3-sulfamoylpropyl)propanamide
CID 115589849

Frequently Asked Questions

What is the IUPAC name of 3-(sulfamoylamino)propane-1-sulfonamide?
The IUPAC name of 3-(sulfamoylamino)propane-1-sulfonamide (CID 112689045) is 3-(sulfamoylamino)propane-1-sulfonamide.
What is the SMILES notation for 3-(sulfamoylamino)propane-1-sulfonamide?
The canonical SMILES for 3-(sulfamoylamino)propane-1-sulfonamide is NS(=O)(=O)CCCNS(N)(=O)=O.
What is the InChIKey of 3-(sulfamoylamino)propane-1-sulfonamide?
The InChIKey is VIJMVUQRLPMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N3O4S2/c4-11(7,8)3-1-2-6-12(5,9)10/h6H,1-3H2,(H2,4,7,8)(H2,5,9,10).
What are the key properties of 3-(sulfamoylamino)propane-1-sulfonamide?
3-(sulfamoylamino)propane-1-sulfonamide has a molecular weight of 217.27 g/mol, XLogP of -2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(sulfamoylamino)propane-1-sulfonamide is sourced from PubChem (CID 112689045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).