(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide

C10H21N3S — CID 100673266

IUPAC(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
SMILESCSCC/N=C(\N)N1CCC[C@@H](C)C1
InChIInChI=1S/C10H21N3S/c1-9-4-3-6-13(8-9)10(11)12-5-7-14-2/h9H,3-8H2,1-2H3,(H2,11,12)/t9-/m1/s1
InChIKeyJJDMODXNBTXCOL-SECBINFHSA-N
MW215.37 g/mol
LogP1.40
Rot. Bonds3

About (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide

(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide (PubChem CID 100673266) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
PubChem CID100673266
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
SMILESCSCC/N=C(\N)N1CCC[C@@H](C)C1
InChIInChI=1S/C10H21N3S/c1-9-4-3-6-13(8-9)10(11)12-5-7-14-2/h9H,3-8H2,1-2H3,(H2,11,12)/t9-/m1/s1
InChIKeyJJDMODXNBTXCOL-SECBINFHSA-N
XLogP1.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.40
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

N'-(2-tert-butylsulfanylethyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 119119004
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
CID 110926968
N'-[2-(diethylamino)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111022707
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
N'-(3-methoxypropyl)-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 91642293
N'-[7-(dimethylamino)heptyl]-3-methylpiperidine-1-carboximidamide
CID 111084919
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide?
The IUPAC name of (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide (CID 100673266) is (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide.
What is the SMILES notation for (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide?
The canonical SMILES for (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide is CSCC/N=C(\N)N1CCC[C@@H](C)C1.
What is the InChIKey of (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide?
The InChIKey is JJDMODXNBTXCOL-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N3S/c1-9-4-3-6-13(8-9)10(11)12-5-7-14-2/h9H,3-8H2,1-2H3,(H2,11,12)/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide?
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide has a molecular weight of 215.37 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 100673266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).