3-(butylsulfonylamino)-N'-hydroxypropanimidamide

C7H17N3O3S — CID 76953153

IUPAC3-(butylsulfonylamino)-N'-hydroxypropanimidamide
SMILESCCCCS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-2-3-6-14(12,13)9-5-4-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyAVMPRRHTJOTKCF-UHFFFAOYSA-N
MW223.30 g/mol
LogP-0.16
Rot. Bonds7

About 3-(butylsulfonylamino)-N'-hydroxypropanimidamide

3-(butylsulfonylamino)-N'-hydroxypropanimidamide (PubChem CID 76953153) has the molecular formula C7H17N3O3S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(butylsulfonylamino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(butylsulfonylamino)-N'-hydroxypropanimidamide
PubChem CID76953153
Molecular FormulaC7H17N3O3S
Molecular Weight223.30 g/mol
Exact Mass223.10
IUPAC Name3-(butylsulfonylamino)-N'-hydroxypropanimidamide
SMILESCCCCS(=O)(=O)NCCC(N)=NO
InChIInChI=1S/C7H17N3O3S/c1-2-3-6-14(12,13)9-5-4-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyAVMPRRHTJOTKCF-UHFFFAOYSA-N
XLogP-0.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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 3-(butylsulfonylamino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(butylsulfonylamino)-N'-hydroxypropanimidamide (CID 76953153) is 3-(butylsulfonylamino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(butylsulfonylamino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(butylsulfonylamino)-N'-hydroxypropanimidamide is CCCCS(=O)(=O)NCCC(N)=NO.
What is the InChIKey of 3-(butylsulfonylamino)-N'-hydroxypropanimidamide?
The InChIKey is AVMPRRHTJOTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O3S/c1-2-3-6-14(12,13)9-5-4-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10).
What are the key properties of 3-(butylsulfonylamino)-N'-hydroxypropanimidamide?
3-(butylsulfonylamino)-N'-hydroxypropanimidamide has a molecular weight of 223.30 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfonylamino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76953153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).