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

C9H14N2O3S2 — CID 61300759

IUPAC4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC2CCOC2)c1
InChIInChI=1S/C9H14N2O3S2/c10-8-3-9(15-6-8)16(12,13)11-4-7-1-2-14-5-7/h3,6-7,11H,1-2,4-5,10H2
InChIKeyUKRWXLDZQXALTL-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.65
Rot. Bonds4

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

4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide (PubChem CID 61300759) has the molecular formula C9H14N2O3S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
PubChem CID61300759
Molecular FormulaC9H14N2O3S2
Molecular Weight262.36 g/mol
Exact Mass262.04
IUPAC Name4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
SMILESNc1csc(S(=O)(=O)NCC2CCOC2)c1
InChIInChI=1S/C9H14N2O3S2/c10-8-3-9(15-6-8)16(12,13)11-4-7-1-2-14-5-7/h3,6-7,11H,1-2,4-5,10H2
InChIKeyUKRWXLDZQXALTL-UHFFFAOYSA-N
XLogP0.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116503
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
4-amino-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 61300548
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
N-(1-adamantylmethyl)-4-aminothiophene-2-sulfonamide
CID 61300366
4-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-sulfonamide
CID 61300388
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955
5-(aminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 114141274

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide (CID 61300759) is 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide is Nc1csc(S(=O)(=O)NCC2CCOC2)c1.
What is the InChIKey of 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is UKRWXLDZQXALTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S2/c10-8-3-9(15-6-8)16(12,13)11-4-7-1-2-14-5-7/h3,6-7,11H,1-2,4-5,10H2.
What are the key properties of 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide?
4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 262.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61300759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).