2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

C10H21N3O3S — CID 112747022

IUPAC2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)CCC1CCC1
InChIInChI=1S/C10H21N3O3S/c1-8(10(11)12-14)13(2)17(15,16)7-6-9-4-3-5-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyWSOLHUSIXKOCTB-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.57
Rot. Bonds6

About 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide

2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 112747022) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID112747022
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(C)S(=O)(=O)CCC1CCC1
InChIInChI=1S/C10H21N3O3S/c1-8(10(11)12-14)13(2)17(15,16)7-6-9-4-3-5-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyWSOLHUSIXKOCTB-UHFFFAOYSA-N
XLogP0.57
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.57
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide (CID 112747022) is 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(C)S(=O)(=O)CCC1CCC1.
What is the InChIKey of 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is WSOLHUSIXKOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-8(10(11)12-14)13(2)17(15,16)7-6-9-4-3-5-9/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 263.36 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclobutylethylsulfonyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 112747022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).