2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine

C7H13NO2S — CID 59894354

IUPAC2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine
SMILESCC1CC(S(C)(=O)=O)=CCN1
InChIInChI=1S/C7H13NO2S/c1-6-5-7(3-4-8-6)11(2,9)10/h3,6,8H,4-5H2,1-2H3
InChIKeyVJPIDGRYQUATGK-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.30
Rot. Bonds1

About 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine

2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine (PubChem CID 59894354) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine
PubChem CID59894354
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine
SMILESCC1CC(S(C)(=O)=O)=CCN1
InChIInChI=1S/C7H13NO2S/c1-6-5-7(3-4-8-6)11(2,9)10/h3,6,8H,4-5H2,1-2H3
InChIKeyVJPIDGRYQUATGK-UHFFFAOYSA-N
XLogP0.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethylsulfonyl-1,2,3,6-tetrahydropyridine
CID 57199052
2-Methylsulfonylcyclohexa-2,4-dien-1-amine
CID 89076303
6-methyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-3-amine
CID 89357465
2-Methylsulfonyl-1,2,3,6-tetrahydropyridine
CID 89923419
4-(Methylsulfonylmethyl)-1,2,3,6-tetrahydropyridine
CID 117125451
3-Methylsulfonyl-1,2,3,6-tetrahydropyridine
CID 123576503
(E)-N-(3-methylsulfonylpropyl)pent-2-en-1-amine
CID 144566521
3,3a,4,5-tetrahydro-2H-thieno[3,2-b]pyrrole 1,1-dioxide
CID 170686766
N-(3-ethylsulfonylpropyl)cyclohex-3-en-1-amine
CID 65700680
N-(3-methylsulfonylpropyl)cyclohex-3-en-1-amine
CID 65701105
N-(1-methylsulfonylpropan-2-yl)cyclohex-3-en-1-amine
CID 65701284
1,1-dioxo-N-propyl-2,3-dihydrothiophen-3-amine
CID 65707890

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine (CID 59894354) is 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine is CC1CC(S(C)(=O)=O)=CCN1.
What is the InChIKey of 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine?
The InChIKey is VJPIDGRYQUATGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-6-5-7(3-4-8-6)11(2,9)10/h3,6,8H,4-5H2,1-2H3.
What are the key properties of 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine?
2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine has a molecular weight of 175.25 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfonyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 59894354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).