4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide

C10H16N2O3S2 — CID 61298833

IUPAC4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC2CCCOC2)c1
InChIInChI=1S/C10H16N2O3S2/c11-9-4-10(16-7-9)17(13,14)12-5-8-2-1-3-15-6-8/h4,7-8,12H,1-3,5-6,11H2
InChIKeyBCLHZWSINTVIIA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.04
Rot. Bonds4

About 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide

4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 61298833) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID61298833
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC2CCCOC2)c1
InChIInChI=1S/C10H16N2O3S2/c11-9-4-10(16-7-9)17(13,14)12-5-8-2-1-3-15-6-8/h4,7-8,12H,1-3,5-6,11H2
InChIKeyBCLHZWSINTVIIA-UHFFFAOYSA-N
XLogP1.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide (CID 61298833) is 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCC2CCCOC2)c1.
What is the InChIKey of 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is BCLHZWSINTVIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c11-9-4-10(16-7-9)17(13,14)12-5-8-2-1-3-15-6-8/h4,7-8,12H,1-3,5-6,11H2.
What are the key properties of 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide?
4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 276.38 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxan-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61298833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).