3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine

C11H14ClNOS — CID 84704216

IUPAC3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine
SMILESO=S(CC1CCNC1)c1ccccc1Cl
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)15(14)8-9-5-6-13-7-9/h1-4,9,13H,5-8H2
InChIKeyMJZRGLQVQJSADS-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.06
Rot. Bonds3

About 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine

3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine (PubChem CID 84704216) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine
PubChem CID84704216
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine
SMILESO=S(CC1CCNC1)c1ccccc1Cl
InChIInChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)15(14)8-9-5-6-13-7-9/h1-4,9,13H,5-8H2
InChIKeyMJZRGLQVQJSADS-UHFFFAOYSA-N
XLogP2.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]-1,3-benzothiazole
CID 97166415
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CID 97163529
4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027
3-[(4-tert-butylphenyl)sulfinylmethyl]pyrrolidine
CID 112741739
3-[(2-chlorophenyl)sulfanylmethyl]pyrrolidine
CID 62370752
3-methyl-6-[(R)-[(3R)-pyrrolidin-3-yl]methylsulfinyl]pyridazine
CID 97162978
2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]pyridine
CID 97166321
2-[[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]methyl]pyridine
CID 97166419
2-(piperidin-4-ylmethylsulfinyl)pyridine;hydrochloride
CID 71646197
3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 56829907
(3R)-3-[(2-chlorophenyl)methoxymethyl]pyrrolidine
CID 86320752
4-methyl-2-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97163111

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine?
The IUPAC name of 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine (CID 84704216) is 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine?
The canonical SMILES for 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine is O=S(CC1CCNC1)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine?
The InChIKey is MJZRGLQVQJSADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-10-3-1-2-4-11(10)15(14)8-9-5-6-13-7-9/h1-4,9,13H,5-8H2.
What are the key properties of 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine?
3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine has a molecular weight of 243.76 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfinylmethyl]pyrrolidine is sourced from PubChem (CID 84704216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).