N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide

C12H25N3O2S — CID 104647780

IUPACN'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide
SMILESCOCCCCN1CCC(SC)(C(N)=NO)CC1
InChIInChI=1S/C12H25N3O2S/c1-17-10-4-3-7-15-8-5-12(18-2,6-9-15)11(13)14-16/h16H,3-10H2,1-2H3,(H2,13,14)
InChIKeyTUNREIBZLNPDLT-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.36
Rot. Bonds7

About N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide

N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide (PubChem CID 104647780) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide
PubChem CID104647780
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide
SMILESCOCCCCN1CCC(SC)(C(N)=NO)CC1
InChIInChI=1S/C12H25N3O2S/c1-17-10-4-3-7-15-8-5-12(18-2,6-9-15)11(13)14-16/h16H,3-10H2,1-2H3,(H2,13,14)
InChIKeyTUNREIBZLNPDLT-UHFFFAOYSA-N
XLogP1.36
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide 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'-hydroxy-4-methylsulfanyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboximidamide
CID 77108666
N'-hydroxy-1-[2-(3-methylbutoxy)ethyl]-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108647
N'-hydroxy-1-(3-methoxypropylsulfonyl)-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108913
1-(2-ethylsulfanylethyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 104863540
N'-hydroxy-1-(2-methoxyacetyl)-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108950
1-hexanoyl-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108952
1-(4-methoxybutyl)-4-methylpiperidine-4-carboxylic acid
CID 104648450
N'-hydroxy-4-methylsulfanyl-1-(piperidine-1-carbonyl)piperidine-4-carboximidamide
CID 79155123
4-(N'-hydroxycarbamimidoyl)-N,N-dimethyl-4-methylsulfanylpiperidine-1-carboxamide
CID 79153764
N'-hydroxy-1-[(2-methylphenyl)methyl]-4-methylsulfanylpiperidine-4-carboximidamide
CID 77108640
1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161474
N'-hydroxy-4-methylsulfanyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 77108644

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide (CID 104647780) is N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide is COCCCCN1CCC(SC)(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide?
The InChIKey is TUNREIBZLNPDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-17-10-4-3-7-15-8-5-12(18-2,6-9-15)11(13)14-16/h16H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide?
N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide has a molecular weight of 275.42 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-methoxybutyl)-4-methylsulfanylpiperidine-4-carboximidamide is sourced from PubChem (CID 104647780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).