2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide

C14H21ClN2O3S2 — CID 53118960

IUPAC2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2O3S2/c1-2-7-16-13(18)10-11-5-8-17(9-6-11)22(19,20)14-4-3-12(15)21-14/h3-4,11H,2,5-10H2,1H3,(H,16,18)
InChIKeyIIIKYGBABQJNQL-UHFFFAOYSA-N
MW364.92 g/mol
LogP2.72
Rot. Bonds6

About 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide

2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide (PubChem CID 53118960) has the molecular formula C14H21ClN2O3S2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide
PubChem CID53118960
Molecular FormulaC14H21ClN2O3S2
Molecular Weight364.92 g/mol
Exact Mass364.07
IUPAC Name2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H21ClN2O3S2/c1-2-7-16-13(18)10-11-5-8-17(9-6-11)22(19,20)14-4-3-12(15)21-14/h3-4,11H,2,5-10H2,1H3,(H,16,18)
InChIKeyIIIKYGBABQJNQL-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide (CID 53118960) is 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide is CCCNC(=O)CC1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide?
The InChIKey is IIIKYGBABQJNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S2/c1-2-7-16-13(18)10-11-5-8-17(9-6-11)22(19,20)14-4-3-12(15)21-14/h3-4,11H,2,5-10H2,1H3,(H,16,18).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide?
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide has a molecular weight of 364.92 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-propylacetamide is sourced from PubChem (CID 53118960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).