5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole

C15H19ClN2O2S — CID 116623347

IUPAC5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
SMILESCS(=O)(=O)N1CCCC(Cn2ccc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H19ClN2O2S/c1-21(19,20)18-7-2-3-12(11-18)10-17-8-6-13-9-14(16)4-5-15(13)17/h4-6,8-9,12H,2-3,7,10-11H2,1H3
InChIKeyPHIPRBUHACVGFW-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.97
Rot. Bonds3

About 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole

5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole (PubChem CID 116623347) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole.

Molecular Properties

Compound Name5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
PubChem CID116623347
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
SMILESCS(=O)(=O)N1CCCC(Cn2ccc3cc(Cl)ccc32)C1
InChIInChI=1S/C15H19ClN2O2S/c1-21(19,20)18-7-2-3-12(11-18)10-17-8-6-13-9-14(16)4-5-15(13)17/h4-6,8-9,12H,2-3,7,10-11H2,1H3
InChIKeyPHIPRBUHACVGFW-UHFFFAOYSA-N
XLogP2.97
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116620114
4-bromo-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole
CID 116626214
1-[(1-methylsulfonylpiperidin-3-yl)methyl]indol-7-amine
CID 114935740
4-chloro-2-N-methyl-2-N-[(1-methylsulfonylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 107466123
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105
1-(2,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011096
3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one
CID 16659683
N-[(4-chlorophenyl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604875
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrole-2-carbothioamide
CID 114653800
1-(4-chlorophenyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 79611252
5-amino-6-chloro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-one
CID 114582769
(3S)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-ol
CID 113249309

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
The IUPAC name of 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole (CID 116623347) is 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole.
What is the SMILES notation for 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
The canonical SMILES for 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole is CS(=O)(=O)N1CCCC(Cn2ccc3cc(Cl)ccc32)C1.
What is the InChIKey of 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
The InChIKey is PHIPRBUHACVGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-21(19,20)18-7-2-3-12(11-18)10-17-8-6-13-9-14(16)4-5-15(13)17/h4-6,8-9,12H,2-3,7,10-11H2,1H3.
What are the key properties of 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole?
5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole has a molecular weight of 326.85 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1-methylsulfonylpiperidin-3-yl)methyl]indole is sourced from PubChem (CID 116623347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).