(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine

C13H19NS — CID 102820293

IUPAC(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
SMILESCc1ccc(SC[C@H]2CCCN2)c(C)c1
InChIInChI=1S/C13H19NS/c1-10-5-6-13(11(2)8-10)15-9-12-4-3-7-14-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyXRVCEQRPWHXGCC-GFCCVEGCSA-N
MW221.37 g/mol
LogP3.15
Rot. Bonds3

About (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine

(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine (PubChem CID 102820293) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
PubChem CID102820293
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
SMILESCc1ccc(SC[C@H]2CCCN2)c(C)c1
InChIInChI=1S/C13H19NS/c1-10-5-6-13(11(2)8-10)15-9-12-4-3-7-14-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3/t12-/m1/s1
InChIKeyXRVCEQRPWHXGCC-GFCCVEGCSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)sulfanylmethyl]pyrrolidine;hydrochloride
CID 72716499
(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
3-methoxy-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820443
3-bromo-4-(pyrrolidin-2-ylmethylsulfanyl)aniline
CID 82840688
3-bromo-4-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820462
5-methyl-2-(pyrrolidin-2-ylmethylsulfanyl)pyridine
CID 71638847
4-chloro-3-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]aniline
CID 102820415
2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
CID 107781623
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62766072
(2S)-2-[(3-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 102820351
N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine?
The IUPAC name of (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine (CID 102820293) is (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine is Cc1ccc(SC[C@H]2CCCN2)c(C)c1.
What is the InChIKey of (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine?
The InChIKey is XRVCEQRPWHXGCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NS/c1-10-5-6-13(11(2)8-10)15-9-12-4-3-7-14-12/h5-6,8,12,14H,3-4,7,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine?
(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine has a molecular weight of 221.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine is sourced from PubChem (CID 102820293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).