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

C10H16N2O3S2 — CID 55014460

IUPAC4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC2CCCCO2)c1
InChIInChI=1S/C10H16N2O3S2/c11-8-5-10(16-7-8)17(13,14)12-6-9-3-1-2-4-15-9/h5,7,9,12H,1-4,6,11H2
InChIKeyXOWATYKXQOEVNB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.18
Rot. Bonds4

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

4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 55014460) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID55014460
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC2CCCCO2)c1
InChIInChI=1S/C10H16N2O3S2/c11-8-5-10(16-7-8)17(13,14)12-6-9-3-1-2-4-15-9/h5,7,9,12H,1-4,6,11H2
InChIKeyXOWATYKXQOEVNB-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide (CID 55014460) is 4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCC2CCCCO2)c1.
What is the InChIKey of 4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is XOWATYKXQOEVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c11-8-5-10(16-7-8)17(13,14)12-6-9-3-1-2-4-15-9/h5,7,9,12H,1-4,6,11H2.
What are the key properties of 4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide?
4-amino-N-(oxan-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 276.38 g/mol, XLogP of 1.18, 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-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 55014460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).