1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine

C17H20ClNO3S3 — CID 71800978

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine
SMILESCOc1ccc(SCC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C17H20ClNO3S3/c1-22-14-2-4-15(5-3-14)23-12-13-8-10-19(11-9-13)25(20,21)17-7-6-16(18)24-17/h2-7,13H,8-12H2,1H3
InChIKeyVHTDYUPDXQNCQR-UHFFFAOYSA-N
MW418.01 g/mol
LogP4.60
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine

1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine (PubChem CID 71800978) has the molecular formula C17H20ClNO3S3 and a molecular weight of 418.01 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine
PubChem CID71800978
Molecular FormulaC17H20ClNO3S3
Molecular Weight418.01 g/mol
Exact Mass417.03
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine
SMILESCOc1ccc(SCC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1
InChIInChI=1S/C17H20ClNO3S3/c1-22-14-2-4-15(5-3-14)23-12-13-8-10-19(11-9-13)25(20,21)17-7-6-16(18)24-17/h2-7,13H,8-12H2,1H3
InChIKeyVHTDYUPDXQNCQR-UHFFFAOYSA-N
XLogP4.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.01
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 95088825
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 19684867
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)sulfanylethanone
CID 35041590
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
1-(5-chlorothiophen-2-yl)sulfonyl-4-(4-fluorophenoxy)piperidine
CID 110397007
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]propanoic acid
CID 62215968
methyl 2-[(3S)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]sulfanylacetate
CID 99982681
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 27768699

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine (CID 71800978) is 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine is COc1ccc(SCC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine?
The InChIKey is VHTDYUPDXQNCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S3/c1-22-14-2-4-15(5-3-14)23-12-13-8-10-19(11-9-13)25(20,21)17-7-6-16(18)24-17/h2-7,13H,8-12H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine has a molecular weight of 418.01 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-4-[(4-methoxyphenyl)sulfanylmethyl]piperidine is sourced from PubChem (CID 71800978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).