3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine

C15H23NOS — CID 112741739

IUPAC3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
SMILESCC(C)(C)c1ccc(S(=O)CC2CCNC2)cc1
InChIInChI=1S/C15H23NOS/c1-15(2,3)13-4-6-14(7-5-13)18(17)11-12-8-9-16-10-12/h4-7,12,16H,8-11H2,1-3H3
InChIKeyVHSUCCFOBMIMPA-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.70
Rot. Bonds3

About 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine

3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine (PubChem CID 112741739) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
PubChem CID112741739
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
SMILESCC(C)(C)c1ccc(S(=O)CC2CCNC2)cc1
InChIInChI=1S/C15H23NOS/c1-15(2,3)13-4-6-14(7-5-13)18(17)11-12-8-9-16-10-12/h4-7,12,16H,8-11H2,1-3H3
InChIKeyVHSUCCFOBMIMPA-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(tert-butylsulfinylmethyl)pyrrolidine
CID 84662314
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine
CID 84704216
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111
4,6-dimethyl-2-(pyrrolidin-3-ylmethylsulfinyl)pyrimidine;hydrochloride
CID 71638379
2-methyl-3-[(R)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrazine
CID 97162722
2-methyl-3-(pyrrolidin-3-ylmethylsulfinyl)pyrazine
CID 71638208
3-(propan-2-ylsulfinylmethyl)pyrrolidine
CID 84655394
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
1-tert-butyl-4-[(4-tert-butylphenyl)sulfinylmethyl]benzene
CID 102104954
2-(pyrrolidin-3-ylmethylsulfinyl)pyrazine;hydrochloride
CID 71646173
3-(piperidin-4-ylmethylsulfinyl)phenol
CID 84701440

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine (CID 112741739) is 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine is CC(C)(C)c1ccc(S(=O)CC2CCNC2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine?
The InChIKey is VHSUCCFOBMIMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(2,3)13-4-6-14(7-5-13)18(17)11-12-8-9-16-10-12/h4-7,12,16H,8-11H2,1-3H3.
What are the key properties of 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine?
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine has a molecular weight of 265.42 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine is sourced from PubChem (CID 112741739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).