N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

C13H25N3O3S — CID 104931344

IUPACN-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)N2CCCC(C)C2)CCC1=NO
InChIInChI=1S/C13H25N3O3S/c1-3-12-10-16(8-6-13(12)14-17)20(18,19)15-7-4-5-11(2)9-15/h11-12,17H,3-10H2,1-2H3
InChIKeyNBPBCWXBAGDEME-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.53
Rot. Bonds3

About N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine

N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (PubChem CID 104931344) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
PubChem CID104931344
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCCC1CN(S(=O)(=O)N2CCCC(C)C2)CCC1=NO
InChIInChI=1S/C13H25N3O3S/c1-3-12-10-16(8-6-13(12)14-17)20(18,19)15-7-4-5-11(2)9-15/h11-12,17H,3-10H2,1-2H3
InChIKeyNBPBCWXBAGDEME-UHFFFAOYSA-N
XLogP1.53
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.53
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-(3-methylpiperidin-1-yl)sulfonylpiperidin-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-[3-ethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 104931361
N-(3-ethyl-1-propylsulfonylpiperidin-4-ylidene)hydroxylamine
CID 104931372
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide
CID 94192743
(NE)-N-[1-(3-bromo-4-chlorophenyl)sulfonyl-3-ethylpiperidin-4-ylidene]hydroxylamine
CID 106606120
3-ethyl-N-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-amine
CID 114507257
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-[3-(bromomethyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 80673941
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
N-[1-(2-cyclobutylethylsulfonyl)-3-methylpiperidin-4-ylidene]hydroxylamine
CID 112746958

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine (CID 104931344) is N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is CCC1CN(S(=O)(=O)N2CCCC(C)C2)CCC1=NO.
What is the InChIKey of N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is NBPBCWXBAGDEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-12-10-16(8-6-13(12)14-17)20(18,19)15-7-4-5-11(2)9-15/h11-12,17H,3-10H2,1-2H3.
What are the key properties of N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine?
N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 303.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 104931344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).