1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine

C11H18N2O3S2 — CID 119980148

IUPAC1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2sccc2OC)CC1
InChIInChI=1S/C11H18N2O3S2/c1-12-9-3-6-13(7-4-9)18(14,15)11-10(16-2)5-8-17-11/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeySGKWDJHZJQQPKJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.13
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine

1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119980148) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID119980148
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2sccc2OC)CC1
InChIInChI=1S/C11H18N2O3S2/c1-12-9-3-6-13(7-4-9)18(14,15)11-10(16-2)5-8-17-11/h5,8-9,12H,3-4,6-7H2,1-2H3
InChIKeySGKWDJHZJQQPKJ-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine (CID 119980148) is 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2sccc2OC)CC1.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is SGKWDJHZJQQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-12-9-3-6-13(7-4-9)18(14,15)11-10(16-2)5-8-17-11/h5,8-9,12H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine?
1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119980148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).