1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine

C14H16ClNO3S2 — CID 71975656

IUPAC1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C14H16ClNO3S2/c1-19-12-4-6-16(7-5-12)21(17,18)14-9-10-8-11(15)2-3-13(10)20-14/h2-3,8-9,12H,4-7H2,1H3
InChIKeyAEQOUAHTSQKVSV-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.35
Rot. Bonds3

About 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine

1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine (PubChem CID 71975656) has the molecular formula C14H16ClNO3S2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine
PubChem CID71975656
Molecular FormulaC14H16ClNO3S2
Molecular Weight345.87 g/mol
Exact Mass345.03
IUPAC Name1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine
SMILESCOC1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C14H16ClNO3S2/c1-19-12-4-6-16(7-5-12)21(17,18)14-9-10-8-11(15)2-3-13(10)20-14/h2-3,8-9,12H,4-7H2,1H3
InChIKeyAEQOUAHTSQKVSV-UHFFFAOYSA-N
XLogP3.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine?
The IUPAC name of 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine (CID 71975656) is 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine?
The canonical SMILES for 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine is COC1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1.
What is the InChIKey of 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine?
The InChIKey is AEQOUAHTSQKVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S2/c1-19-12-4-6-16(7-5-12)21(17,18)14-9-10-8-11(15)2-3-13(10)20-14/h2-3,8-9,12H,4-7H2,1H3.
What are the key properties of 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine?
1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine has a molecular weight of 345.87 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-benzothiophen-2-yl)sulfonyl]-4-methoxypiperidine is sourced from PubChem (CID 71975656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).