N'-hydroxy-3-(sulfamoylamino)propanimidamide

C3H10N4O3S — CID 104985775

IUPACN'-hydroxy-3-(sulfamoylamino)propanimidamide
SMILESNC(CCNS(N)(=O)=O)=NO
InChIInChI=1S/C3H10N4O3S/c4-3(7-8)1-2-6-11(5,9)10/h6,8H,1-2H2,(H2,4,7)(H2,5,9,10)
InChIKeyDLZUJBHERPCRQX-UHFFFAOYSA-N
MW182.20 g/mol
LogP-2.08
Rot. Bonds4

About N'-hydroxy-3-(sulfamoylamino)propanimidamide

N'-hydroxy-3-(sulfamoylamino)propanimidamide (PubChem CID 104985775) has the molecular formula C3H10N4O3S and a molecular weight of 182.20 g/mol. Its IUPAC name is N'-hydroxy-3-(sulfamoylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(sulfamoylamino)propanimidamide
PubChem CID104985775
Molecular FormulaC3H10N4O3S
Molecular Weight182.20 g/mol
Exact Mass182.05
IUPAC NameN'-hydroxy-3-(sulfamoylamino)propanimidamide
SMILESNC(CCNS(N)(=O)=O)=NO
InChIInChI=1S/C3H10N4O3S/c4-3(7-8)1-2-6-11(5,9)10/h6,8H,1-2H2,(H2,4,7)(H2,5,9,10)
InChIKeyDLZUJBHERPCRQX-UHFFFAOYSA-N
XLogP-2.08
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(sulfamoylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(sulfamoylamino)propanimidamide (CID 104985775) is N'-hydroxy-3-(sulfamoylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(sulfamoylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(sulfamoylamino)propanimidamide is NC(CCNS(N)(=O)=O)=NO.
What is the InChIKey of N'-hydroxy-3-(sulfamoylamino)propanimidamide?
The InChIKey is DLZUJBHERPCRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N4O3S/c4-3(7-8)1-2-6-11(5,9)10/h6,8H,1-2H2,(H2,4,7)(H2,5,9,10).
What are the key properties of N'-hydroxy-3-(sulfamoylamino)propanimidamide?
N'-hydroxy-3-(sulfamoylamino)propanimidamide has a molecular weight of 182.20 g/mol, XLogP of -2.08, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(sulfamoylamino)propanimidamide is sourced from PubChem (CID 104985775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).