1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine

C10H12ClNO2S2 — CID 59324498

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine
SMILESC=C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNO2S2/c1-8-3-2-6-12(7-8)16(13,14)10-5-4-9(11)15-10/h4-5H,1-3,6-7H2
InChIKeyCUKVOASBJFDIKR-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.74
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine

1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine (PubChem CID 59324498) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine
PubChem CID59324498
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine
SMILESC=C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C10H12ClNO2S2/c1-8-3-2-6-12(7-8)16(13,14)10-5-4-9(11)15-10/h4-5H,1-3,6-7H2
InChIKeyCUKVOASBJFDIKR-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-tert-butyl-4-(5-chlorothiophen-2-yl)sulfonylpiperazine
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2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile
CID 60676123
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
1-(5-chlorothiophen-2-yl)sulfonyl-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 19684944
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95267954
[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123700
1-(5-chlorothiophen-2-yl)sulfonyl-2-methylpyrrolidine
CID 110728237
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
(4R,5R)-7-(5-chlorothiophen-2-yl)sulfonyl-4-methoxy-7-azaspiro[4.5]decane
CID 135108992

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine (CID 59324498) is 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine is C=C1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine?
The InChIKey is CUKVOASBJFDIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c1-8-3-2-6-12(7-8)16(13,14)10-5-4-9(11)15-10/h4-5H,1-3,6-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine?
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine has a molecular weight of 277.80 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-3-methylidenepiperidine is sourced from PubChem (CID 59324498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).