N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide

C13H28IN3S — CID 119119004

IUPACN'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCSC(C)(C)C)C1.I
InChIInChI=1S/C13H27N3S.HI/c1-11-6-5-8-16(10-11)12(14)15-7-9-17-13(2,3)4;/h11H,5-10H2,1-4H3,(H2,14,15);1H
InChIKeyIMJGQWQRXRNGQC-UHFFFAOYSA-N
MW385.36 g/mol
LogP3.18
Rot. Bonds3

About N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119119004) has the molecular formula C13H28IN3S and a molecular weight of 385.36 g/mol. Its IUPAC name is N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119119004
Molecular FormulaC13H28IN3S
Molecular Weight385.36 g/mol
Exact Mass385.10
IUPAC NameN'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCSC(C)(C)C)C1.I
InChIInChI=1S/C13H27N3S.HI/c1-11-6-5-8-16(10-11)12(14)15-7-9-17-13(2,3)4;/h11H,5-10H2,1-4H3,(H2,14,15);1H
InChIKeyIMJGQWQRXRNGQC-UHFFFAOYSA-N
XLogP3.18
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'iodine', 'substructure': 'N/A'}

Analyze N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide 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

(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-(2-tert-butylsulfonylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111812137
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 86786540
3-methyl-N'-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111060279
3-methyl-N'-[3-(4-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide
CID 111034873
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
N'-[2-(cyclobutylmethylsulfonyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 86786541
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 119119004) is N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CCSC(C)(C)C)C1.I.
What is the InChIKey of N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is IMJGQWQRXRNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S.HI/c1-11-6-5-8-16(10-11)12(14)15-7-9-17-13(2,3)4;/h11H,5-10H2,1-4H3,(H2,14,15);1H.
What are the key properties of N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 385.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119119004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).