4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide

C11H18N2O3S3 — CID 61301523

IUPAC4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide
SMILESCOCCN(C1CCSC1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H18N2O3S3/c1-16-4-3-13(10-2-5-17-8-10)19(14,15)11-6-9(12)7-18-11/h6-7,10H,2-5,8,12H2,1H3
InChIKeyBMILJFSSMGHENH-UHFFFAOYSA-N
MW322.48 g/mol
LogP1.47
Rot. Bonds6

About 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide

4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide (PubChem CID 61301523) has the molecular formula C11H18N2O3S3 and a molecular weight of 322.48 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide
PubChem CID61301523
Molecular FormulaC11H18N2O3S3
Molecular Weight322.48 g/mol
Exact Mass322.05
IUPAC Name4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide
SMILESCOCCN(C1CCSC1)S(=O)(=O)c1cc(N)cs1
InChIInChI=1S/C11H18N2O3S3/c1-16-4-3-13(10-2-5-17-8-10)19(14,15)11-6-9(12)7-18-11/h6-7,10H,2-5,8,12H2,1H3
InChIKeyBMILJFSSMGHENH-UHFFFAOYSA-N
XLogP1.47
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide (CID 61301523) is 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide is COCCN(C1CCSC1)S(=O)(=O)c1cc(N)cs1.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide?
The InChIKey is BMILJFSSMGHENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S3/c1-16-4-3-13(10-2-5-17-8-10)19(14,15)11-6-9(12)7-18-11/h6-7,10H,2-5,8,12H2,1H3.
What are the key properties of 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide?
4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide has a molecular weight of 322.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 61301523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).