5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine

C16H19ClN2O2S2 — CID 92603095

IUPAC5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C16H19ClN2O2S2/c1-23(20,21)15-8-13(17)9-18-16(15)12-4-2-6-19(10-12)11-14-5-3-7-22-14/h3,5,7-9,12H,2,4,6,10-11H2,1H3/t12-/m0/s1
InChIKeyLETYHRIUJJBBSP-LBPRGKRZSA-N
MW370.93 g/mol
LogP3.58
Rot. Bonds4

About 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine

5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 92603095) has the molecular formula C16H19ClN2O2S2 and a molecular weight of 370.93 g/mol. Its IUPAC name is 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
PubChem CID92603095
Molecular FormulaC16H19ClN2O2S2
Molecular Weight370.93 g/mol
Exact Mass370.06
IUPAC Name5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
SMILESCS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccs2)C1
InChIInChI=1S/C16H19ClN2O2S2/c1-23(20,21)15-8-13(17)9-18-16(15)12-4-2-6-19(10-12)11-14-5-3-7-22-14/h3,5,7-9,12H,2,4,6,10-11H2,1H3/t12-/m0/s1
InChIKeyLETYHRIUJJBBSP-LBPRGKRZSA-N
XLogP3.58
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 110234375
5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 92595841
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
CID 124783682
5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 110245365
[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-cyclopropylmethanone
CID 110234282
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
(3R)-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]-1-(thiophen-2-ylmethyl)piperidine
CID 125007759
1-methyl-6-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[5,4-b]pyridine
CID 125017357
1-methyl-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine;hydrochloride
CID 118741951
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine (CID 92603095) is 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine is CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(Cc2cccs2)C1.
What is the InChIKey of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is LETYHRIUJJBBSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19ClN2O2S2/c1-23(20,21)15-8-13(17)9-18-16(15)12-4-2-6-19(10-12)11-14-5-3-7-22-14/h3,5,7-9,12H,2,4,6,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine?
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 370.93 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 92603095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).