1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

C19H29ClN2O2S — CID 46287420

IUPAC1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(CN2CCCC(C)C2)CC1
InChIInChI=1S/C19H29ClN2O2S/c1-15-5-4-10-21(13-15)14-17-8-11-22(12-9-17)25(23,24)19-7-3-6-18(20)16(19)2/h3,6-7,15,17H,4-5,8-14H2,1-2H3
InChIKeyVEGRASGGCIJDOU-UHFFFAOYSA-N
MW384.97 g/mol
LogP3.78
Rot. Bonds4

About 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (PubChem CID 46287420) has the molecular formula C19H29ClN2O2S and a molecular weight of 384.97 g/mol. Its IUPAC name is 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
PubChem CID46287420
Molecular FormulaC19H29ClN2O2S
Molecular Weight384.97 g/mol
Exact Mass384.16
IUPAC Name1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC(CN2CCCC(C)C2)CC1
InChIInChI=1S/C19H29ClN2O2S/c1-15-5-4-10-21(13-15)14-17-8-11-22(12-9-17)25(23,24)19-7-3-6-18(20)16(19)2/h3,6-7,15,17H,4-5,8-14H2,1-2H3
InChIKeyVEGRASGGCIJDOU-UHFFFAOYSA-N
XLogP3.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.97
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The IUPAC name of 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (CID 46287420) is 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The canonical SMILES for 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CN2CCCC(C)C2)CC1.
What is the InChIKey of 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The InChIKey is VEGRASGGCIJDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2S/c1-15-5-4-10-21(13-15)14-17-8-11-22(12-9-17)25(23,24)19-7-3-6-18(20)16(19)2/h3,6-7,15,17H,4-5,8-14H2,1-2H3.
What are the key properties of 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine has a molecular weight of 384.97 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 46287420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).