3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

C9H19N3O3S — CID 105361578

IUPAC3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-12(7-6-9(10)11-13)16(14,15)8-4-2-3-5-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyUNYKQAPNLKQGQW-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.33
Rot. Bonds5

About 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 105361578) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID105361578
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)S(=O)(=O)C1CCCC1
InChIInChI=1S/C9H19N3O3S/c1-12(7-6-9(10)11-13)16(14,15)8-4-2-3-5-8/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyUNYKQAPNLKQGQW-UHFFFAOYSA-N
XLogP0.33
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
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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Related Compounds

3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996916
N-(2-aminoethyl)-N-methylcyclopentanesulfonamide
CID 83701794
2-[cyclopentylsulfonyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 105361603
N-(3-aminopropyl)-N-methylcyclohexanesulfonamide
CID 61065457
3-[cyclopropyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxypropanimidamide
CID 54997208
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
CID 54996423
2-[cyclopentylsulfonyl(methyl)amino]ethanimidamide
CID 105361938
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N'-hydroxy-3-[methyl(3-methylbutylsulfonyl)amino]propanimidamide
CID 77008670
5-[cyclohexyl(methyl)amino]-N'-hydroxypentanimidamide
CID 109374536
3-[ethyl-(2-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxypropanimidamide
CID 54992516
3-[ethyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
CID 76910513

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (CID 105361578) is 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is CN(CCC(N)=NO)S(=O)(=O)C1CCCC1.
What is the InChIKey of 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is UNYKQAPNLKQGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-12(7-6-9(10)11-13)16(14,15)8-4-2-3-5-8/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 249.34 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 105361578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).