4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide

C12H25N3S — CID 111435807

IUPAC4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
SMILESCSCCCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C12H25N3S/c1-11-5-8-15(9-6-11)12(13)14-7-3-4-10-16-2/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyPOTCYCHVMYKFJU-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.18
Rot. Bonds5

About 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide

4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide (PubChem CID 111435807) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
PubChem CID111435807
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
SMILESCSCCCC/N=C(\N)N1CCC(C)CC1
InChIInChI=1S/C12H25N3S/c1-11-5-8-15(9-6-11)12(13)14-7-3-4-10-16-2/h11H,3-10H2,1-2H3,(H2,13,14)
InChIKeyPOTCYCHVMYKFJU-UHFFFAOYSA-N
XLogP2.18
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.18
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'}

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Related Compounds

4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-(5-methoxypentyl)-4-methylpiperidine-1-carboximidamide
CID 110920452
4-methyl-N'-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 110920130
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920087
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
N'-(2-butoxyethyl)-4-methylpiperidine-1-carboximidamide
CID 110920377
N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpiperidine-1-carboximidamide
CID 110919594

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide (CID 111435807) is 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide is CSCCCC/N=C(\N)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide?
The InChIKey is POTCYCHVMYKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-11-5-8-15(9-6-11)12(13)14-7-3-4-10-16-2/h11H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide?
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide has a molecular weight of 243.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111435807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).