(5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone

C16H17ClN2OS2 — CID 71800720

IUPAC(5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CSc2ccccn2)CC1
InChIInChI=1S/C16H17ClN2OS2/c17-14-5-4-13(22-14)16(20)19-9-6-12(7-10-19)11-21-15-3-1-2-8-18-15/h1-5,8,12H,6-7,9-11H2
InChIKeyRMGDYIRVODJIBV-UHFFFAOYSA-N
MW352.91 g/mol
LogP4.44
Rot. Bonds4

About (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone (PubChem CID 71800720) has the molecular formula C16H17ClN2OS2 and a molecular weight of 352.91 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
PubChem CID71800720
Molecular FormulaC16H17ClN2OS2
Molecular Weight352.91 g/mol
Exact Mass352.05
IUPAC Name(5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(CSc2ccccn2)CC1
InChIInChI=1S/C16H17ClN2OS2/c17-14-5-4-13(22-14)16(20)19-9-6-12(7-10-19)11-21-15-3-1-2-8-18-15/h1-5,8,12H,6-7,9-11H2
InChIKeyRMGDYIRVODJIBV-UHFFFAOYSA-N
XLogP4.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Chlorothiophen-2-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone
CID 2342289
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 10021461
(3-Chlorothiophen-2-yl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42605991
(5-Chlorothiophen-2-yl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42605992
1-Isonicotinoyl-4-(2-thienylcarbonyl)piperazine
CID 704291
N-[(4-chlorophenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 4192052
N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 668940
1-(3-Pyridinylmethyl)-4-(2-thienylcarbonyl)piperazine
CID 652172
N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47026003
3-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 51101798
4-[1-(3-Thienylacetyl)-4-piperidinyl]pyridine
CID 70735787

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone (CID 71800720) is (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CCC(CSc2ccccn2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
The InChIKey is RMGDYIRVODJIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS2/c17-14-5-4-13(22-14)16(20)19-9-6-12(7-10-19)11-21-15-3-1-2-8-18-15/h1-5,8,12H,6-7,9-11H2.
What are the key properties of (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone has a molecular weight of 352.91 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[4-(pyridin-2-ylsulfanylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71800720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).