1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine

C12H16ClNO2S — CID 110749811

IUPAC1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
SMILESCC1CCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO2S/c1-10-6-7-14(8-10)17(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyFUTSIRRUXIPDBZ-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.51
Rot. Bonds3

About 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine

1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine (PubChem CID 110749811) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
PubChem CID110749811
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine
SMILESCC1CCN(S(=O)(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C12H16ClNO2S/c1-10-6-7-14(8-10)17(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3
InChIKeyFUTSIRRUXIPDBZ-UHFFFAOYSA-N
XLogP2.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-3-methylsulfonylpyrrolidine
CID 72717812
1-[(2-chlorophenyl)methylsulfonyl]-3,5-dimethylpiperidine
CID 17257572
(2S)-1,4-bis[(2-chlorophenyl)methylsulfonyl]-2-methylpiperazine
CID 41301352
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589
4-[(2-chlorophenyl)methylsulfonyl]-2-methylmorpholine
CID 110292466
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
2-[(2-chlorophenyl)methylsulfonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867919
1-[(2-chlorophenyl)methylsulfonyl]-4-pyrrol-1-ylpiperidine
CID 110721356
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
2-[(3-methylpiperidin-1-yl)sulfonylmethyl]aniline
CID 62021640
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
(1R,5R)-3-[(2-chlorophenyl)methylsulfonyl]-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 98137737

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine?
The IUPAC name of 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine (CID 110749811) is 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine is CC1CCN(S(=O)(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine?
The InChIKey is FUTSIRRUXIPDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-10-6-7-14(8-10)17(15,16)9-11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine?
1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine has a molecular weight of 273.78 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methylsulfonyl]-3-methylpyrrolidine is sourced from PubChem (CID 110749811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).