N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

C11H18N2O2S2 — CID 16887424

IUPACN-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-13-6-4-10(5-7-13)9-12-17(14,15)11-3-2-8-16-11/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyVMOYCEQFUFLBOY-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.37
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide

N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 16887424) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID16887424
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C11H18N2O2S2/c1-13-6-4-10(5-7-13)9-12-17(14,15)11-3-2-8-16-11/h2-3,8,10,12H,4-7,9H2,1H3
InChIKeyVMOYCEQFUFLBOY-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide (CID 16887424) is N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is CN1CCC(CNS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is VMOYCEQFUFLBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-13-6-4-10(5-7-13)9-12-17(14,15)11-3-2-8-16-11/h2-3,8,10,12H,4-7,9H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide?
N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16887424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).