N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine

C10H20N2O3S — CID 104931372

IUPACN-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCCCS(=O)(=O)N1CCC(=NO)C(CC)C1
InChIInChI=1S/C10H20N2O3S/c1-3-7-16(14,15)12-6-5-10(11-13)9(4-2)8-12/h9,13H,3-8H2,1-2H3
InChIKeyMPWGRIUESHYOMC-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.29
Rot. Bonds4

About N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine

N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine (PubChem CID 104931372) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
PubChem CID104931372
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
SMILESCCCS(=O)(=O)N1CCC(=NO)C(CC)C1
InChIInChI=1S/C10H20N2O3S/c1-3-7-16(14,15)12-6-5-10(11-13)9(4-2)8-12/h9,13H,3-8H2,1-2H3
InChIKeyMPWGRIUESHYOMC-UHFFFAOYSA-N
XLogP1.29
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3,3-dimethylbutylsulfonyl)-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 103521276
3-ethyl-4-hydroxyimino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 104978049
N-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 104931361
N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 112746958
3-ethyl-1-(2-methylsulfonylethylsulfonyl)piperidin-4-one
CID 114508541
3-methyl-1-propylsulfonylpiperidin-4-one
CID 114500092
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
N-(1-tert-butylsulfonyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104930877
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
(3,5-dibromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 107972408
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
The IUPAC name of N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine (CID 104931372) is N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine is CCCS(=O)(=O)N1CCC(=NO)C(CC)C1.
What is the InChIKey of N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
The InChIKey is MPWGRIUESHYOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-7-16(14,15)12-6-5-10(11-13)9(4-2)8-12/h9,13H,3-8H2,1-2H3.
What are the key properties of N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine?
N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine has a molecular weight of 248.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine is sourced from PubChem (CID 104931372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).