4-(sulfamoylamino)butanamide

C4H11N3O3S — CID 112684755

IUPAC4-(sulfamoylamino)butanamide
SMILESNC(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C4H11N3O3S/c5-4(8)2-1-3-7-11(6,9)10/h7H,1-3H2,(H2,5,8)(H2,6,9,10)
InChIKeyVSAORXXSSJPUPY-UHFFFAOYSA-N
MW181.22 g/mol
LogP-1.96
Rot. Bonds5

About 4-(sulfamoylamino)butanamide

4-(sulfamoylamino)butanamide (PubChem CID 112684755) has the molecular formula C4H11N3O3S and a molecular weight of 181.22 g/mol. Its IUPAC name is 4-(sulfamoylamino)butanamide.

Molecular Properties

Compound Name4-(sulfamoylamino)butanamide
PubChem CID112684755
Molecular FormulaC4H11N3O3S
Molecular Weight181.22 g/mol
Exact Mass181.05
IUPAC Name4-(sulfamoylamino)butanamide
SMILESNC(=O)CCCNS(N)(=O)=O
InChIInChI=1S/C4H11N3O3S/c5-4(8)2-1-3-7-11(6,9)10/h7H,1-3H2,(H2,5,8)(H2,6,9,10)
InChIKeyVSAORXXSSJPUPY-UHFFFAOYSA-N
XLogP-1.96
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-amino-4-oxobutyl)sulfamoyl]propanoic acid
CID 60864275
3-(sulfamoylamino)propane-1-sulfonamide
CID 112689045
2-[(5-amino-5-oxopentyl)sulfamoyl]acetic acid
CID 106234815
1-methylsulfonyl-3-(sulfamoylamino)propane
CID 112686404
azane;1-(sulfamoylamino)pentane
CID 87509026
(3S)-3-hydroxy-1-(sulfamoylamino)butane
CID 130638479
N-propan-2-yl-3-(sulfamoylamino)propanamide
CID 115609040
1-(propan-2-ylamino)-3-(sulfamoylamino)propane
CID 114959323
1-(sulfamoylamino)octane;hydrofluoride
CID 175085495
4-[[2-(aminomethyl)phenyl]methylsulfonylamino]butanamide
CID 60865393
1-cyano-4-(sulfamoylamino)butane
CID 112689559
5-(2-cyclopropylpropylsulfonylamino)pentanamide
CID 154770138

Frequently Asked Questions

What is the IUPAC name of 4-(sulfamoylamino)butanamide?
The IUPAC name of 4-(sulfamoylamino)butanamide (CID 112684755) is 4-(sulfamoylamino)butanamide.
What is the SMILES notation for 4-(sulfamoylamino)butanamide?
The canonical SMILES for 4-(sulfamoylamino)butanamide is NC(=O)CCCNS(N)(=O)=O.
What is the InChIKey of 4-(sulfamoylamino)butanamide?
The InChIKey is VSAORXXSSJPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O3S/c5-4(8)2-1-3-7-11(6,9)10/h7H,1-3H2,(H2,5,8)(H2,6,9,10).
What are the key properties of 4-(sulfamoylamino)butanamide?
4-(sulfamoylamino)butanamide has a molecular weight of 181.22 g/mol, XLogP of -1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(sulfamoylamino)butanamide is sourced from PubChem (CID 112684755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).