4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide

C10H22IN3S — CID 110926968

IUPAC4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCSCC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C10H21N3S.HI/c1-9-3-6-13(7-4-9)10(11)12-5-8-14-2;/h9H,3-8H2,1-2H3,(H2,11,12);1H
InChIKeyAUMLQXVNZCQUKX-UHFFFAOYSA-N
MW343.28 g/mol
LogP2.01
Rot. Bonds3

About 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide

4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 110926968) has the molecular formula C10H22IN3S and a molecular weight of 343.28 g/mol. Its IUPAC name is 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID110926968
Molecular FormulaC10H22IN3S
Molecular Weight343.28 g/mol
Exact Mass343.06
IUPAC Name4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide
SMILESCSCC/N=C(\N)N1CCC(C)CC1.I
InChIInChI=1S/C10H21N3S.HI/c1-9-3-6-13(7-4-9)10(11)12-5-8-14-2;/h9H,3-8H2,1-2H3,(H2,11,12);1H
InChIKeyAUMLQXVNZCQUKX-UHFFFAOYSA-N
XLogP2.01
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 52.01
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'}

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Related Compounds

4-methyl-N'-(4-methylsulfanylbutyl)piperidine-1-carboximidamide
CID 111435807
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-(3-cyclopropylpropyl)-4-methylpiperidine-1-carboximidamide
CID 111435851
N'-[2-[ethyl(methyl)amino]ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920495
4-methyl-N'-(4-methylpentyl)piperidine-1-carboximidamide
CID 110919808
4-methyl-N'-[2-(3-methylpiperidin-1-yl)ethyl]piperidine-1-carboximidamide
CID 110920150
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N'-(3-ethoxypropyl)-4-methylpiperidine-1-carboximidamide
CID 110919499
N'-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919582
3-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 110920904
N'-(2-ethylbutyl)-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111800631
N'-[2-(3,5-difluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110920788

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide (CID 110926968) is 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide is CSCC/N=C(\N)N1CCC(C)CC1.I.
What is the InChIKey of 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is AUMLQXVNZCQUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S.HI/c1-9-3-6-13(7-4-9)10(11)12-5-8-14-2;/h9H,3-8H2,1-2H3,(H2,11,12);1H.
What are the key properties of 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide?
4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 343.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110926968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).