3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine

C12H18N2S — CID 138059061

IUPAC3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine
SMILESCc1ccc(SC2C(C)NNC2C)cc1
InChIInChI=1S/C12H18N2S/c1-8-4-6-11(7-5-8)15-12-9(2)13-14-10(12)3/h4-7,9-10,12-14H,1-3H3
InChIKeyDSBNVGBZGGFYCE-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.34
Rot. Bonds2

About 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine

3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine (PubChem CID 138059061) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine
PubChem CID138059061
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine
SMILESCc1ccc(SC2C(C)NNC2C)cc1
InChIInChI=1S/C12H18N2S/c1-8-4-6-11(7-5-8)15-12-9(2)13-14-10(12)3/h4-7,9-10,12-14H,1-3H3
InChIKeyDSBNVGBZGGFYCE-UHFFFAOYSA-N
XLogP2.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropylsulfanyl-4-methylbenzene
CID 12836423
3,5-dimethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64736364
2-(4-methylphenyl)sulfanylthiirane
CID 139534651
7-(4-methylphenyl)sulfanylcyclohepta-1,3,5-triene
CID 86020256
trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
CID 12791403
(3aR,5R,6R,6aS)-2,2,5-trimethyl-6-(4-methylphenyl)sulfanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 132530476
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
2-(4-methylphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 80997112
2-(4-methylphenyl)sulfanylcyclopropane-1-carboxylic acid
CID 117033537
4-(4-methylphenyl)sulfanylcyclohexan-1-one
CID 10331073
3-(4-methylphenyl)sulfanylazepane
CID 79019900
(1R,2S,4R,5S,6S)-2-methyl-4-(4-methylphenyl)sulfanyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 25270676

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine?
The IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine (CID 138059061) is 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine.
What is the SMILES notation for 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine?
The canonical SMILES for 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine is Cc1ccc(SC2C(C)NNC2C)cc1.
What is the InChIKey of 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine?
The InChIKey is DSBNVGBZGGFYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-8-4-6-11(7-5-8)15-12-9(2)13-14-10(12)3/h4-7,9-10,12-14H,1-3H3.
What are the key properties of 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine?
3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine has a molecular weight of 222.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine is sourced from PubChem (CID 138059061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).