(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine

C12H16ClNO4S2 — CID 95267954

IUPAC(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C12H16ClNO4S2/c13-10-3-4-11(19-10)20(15,16)14-5-1-2-9(8-14)12-17-6-7-18-12/h3-4,9,12H,1-2,5-8H2/t9-/m0/s1
InChIKeyVFUJBZOHXCNQJQ-VIFPVBQESA-N
MW337.85 g/mol
LogP2.18
Rot. Bonds3

About (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine

(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine (PubChem CID 95267954) has the molecular formula C12H16ClNO4S2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
PubChem CID95267954
Molecular FormulaC12H16ClNO4S2
Molecular Weight337.85 g/mol
Exact Mass337.02
IUPAC Name(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
SMILESO=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C12H16ClNO4S2/c13-10-3-4-11(19-10)20(15,16)14-5-1-2-9(8-14)12-17-6-7-18-12/h3-4,9,12H,1-2,5-8H2/t9-/m0/s1
InChIKeyVFUJBZOHXCNQJQ-VIFPVBQESA-N
XLogP2.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carbaldehyde
CID 63845902
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
2-(5-chlorothiophen-2-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120583982
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 172905067
[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 31137350
(3R)-1-(3,5-difluorophenyl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine
CID 95275233
[4-(5-chlorothiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797097
N'-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 45221142
4-(5-chlorothiophen-2-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 52985795
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-3-yl]oxy-5-fluoropyrimidine
CID 122258636
4-(5-chlorothiophen-2-yl)sulfonyl-2-(2-methylphenyl)morpholine
CID 110364559

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine (CID 95267954) is (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine is O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H](C2OCCO2)C1.
What is the InChIKey of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is VFUJBZOHXCNQJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClNO4S2/c13-10-3-4-11(19-10)20(15,16)14-5-1-2-9(8-14)12-17-6-7-18-12/h3-4,9,12H,1-2,5-8H2/t9-/m0/s1.
What are the key properties of (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine?
(3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 337.85 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 95267954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).