3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide

C11H21N3O2S — CID 114117368

IUPAC3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide
SMILESCSC1(CNC(=O)C(C)C(N)=NO)CCCC1
InChIInChI=1S/C11H21N3O2S/c1-8(9(12)14-16)10(15)13-7-11(17-2)5-3-4-6-11/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyDLCBYIMBGOYOGQ-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.16
Rot. Bonds5

About 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide

3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide (PubChem CID 114117368) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide
PubChem CID114117368
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide
SMILESCSC1(CNC(=O)C(C)C(N)=NO)CCCC1
InChIInChI=1S/C11H21N3O2S/c1-8(9(12)14-16)10(15)13-7-11(17-2)5-3-4-6-11/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyDLCBYIMBGOYOGQ-UHFFFAOYSA-N
XLogP1.16
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.16
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-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide (CID 114117368) is 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide is CSC1(CNC(=O)C(C)C(N)=NO)CCCC1.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide?
The InChIKey is DLCBYIMBGOYOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8(9(12)14-16)10(15)13-7-11(17-2)5-3-4-6-11/h8,16H,3-7H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide?
3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide has a molecular weight of 259.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 114117368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).