3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide

C10H21N3O3S — CID 54997532

IUPAC3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
SMILESCCS(=O)(=O)CCN(CC/C(N)=N/O)C1CC1
InChIInChI=1S/C10H21N3O3S/c1-2-17(15,16)8-7-13(9-3-4-9)6-5-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyNXRPMPJEHBEYAI-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.02
Rot. Bonds8

About 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide

3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 54997532) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
PubChem CID54997532
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide
SMILESCCS(=O)(=O)CCN(CC/C(N)=N/O)C1CC1
InChIInChI=1S/C10H21N3O3S/c1-2-17(15,16)8-7-13(9-3-4-9)6-5-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12)
InChIKeyNXRPMPJEHBEYAI-UHFFFAOYSA-N
XLogP0.02
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide (CID 54997532) is 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide is CCS(=O)(=O)CCN(CC/C(N)=N/O)C1CC1.
What is the InChIKey of 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is NXRPMPJEHBEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-2-17(15,16)8-7-13(9-3-4-9)6-5-10(11)12-14/h9,14H,2-8H2,1H3,(H2,11,12).
What are the key properties of 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide?
3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 263.36 g/mol, XLogP of 0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-ethylsulfonylethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 54997532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).