1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

C18H26Cl2N2O2S — CID 10835110

IUPAC1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
InChIKeyOQCUZRRTKCFWET-OAHLLOKOSA-N
MW405.39 g/mol
LogP4.27
Rot. Bonds5

About 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine

1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (PubChem CID 10835110) has the molecular formula C18H26Cl2N2O2S and a molecular weight of 405.39 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
PubChem CID10835110
Molecular FormulaC18H26Cl2N2O2S
Molecular Weight405.39 g/mol
Exact Mass404.11
IUPAC Name1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine
SMILESCC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1
InChIKeyOQCUZRRTKCFWET-OAHLLOKOSA-N
XLogP4.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The IUPAC name of 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine (CID 10835110) is 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The canonical SMILES for 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
The InChIKey is OQCUZRRTKCFWET-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26Cl2N2O2S/c1-14-6-10-21(11-7-14)12-8-15-3-2-9-22(15)25(23,24)16-4-5-17(19)18(20)13-16/h4-5,13-15H,2-3,6-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine?
1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine has a molecular weight of 405.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(3,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]-4-methylpiperidine is sourced from PubChem (CID 10835110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).