5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide

C8H13NO4S3 — CID 171874193

IUPAC5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C(O)C(O)CCS)s1
InChIInChI=1S/C8H13NO4S3/c9-16(12,13)7-2-1-6(15-7)8(11)5(10)3-4-14/h1-2,5,8,10-11,14H,3-4H2,(H2,9,12,13)
InChIKeyZBXHYTRVRZYWEZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.11
Rot. Bonds5

About 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide

5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide (PubChem CID 171874193) has the molecular formula C8H13NO4S3 and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide
PubChem CID171874193
Molecular FormulaC8H13NO4S3
Molecular Weight283.40 g/mol
Exact Mass283.00
IUPAC Name5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(C(O)C(O)CCS)s1
InChIInChI=1S/C8H13NO4S3/c9-16(12,13)7-2-1-6(15-7)8(11)5(10)3-4-14/h1-2,5,8,10-11,14H,3-4H2,(H2,9,12,13)
InChIKeyZBXHYTRVRZYWEZ-UHFFFAOYSA-N
XLogP0.11
TPSA100.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-4-(5-sulfamoylthiophen-2-yl)butanoic acid
CID 171877776
4-[5-(1,2-dihydroxy-4-sulfanylbutyl)thiophen-2-yl]-4-oxobutanoic acid
CID 171874976
3-(1,2-dihydroxy-4-sulfanylbutyl)benzenesulfonamide
CID 171874521
5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 43134149
5-[(S)-amino(cyclopropyl)methyl]thiophene-2-sulfonamide
CID 131173158
2-(5-sulfamoylthiophen-2-yl)acetamide
CID 60758764
N-[1-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133919
2-(1,2-dihydroxy-4-sulfanylbutyl)benzenesulfonic acid
CID 171875231
5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 60862958
3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide
CID 114875220
2-ethoxy-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133916
5-[cyclopropyl(methylamino)methyl]thiophene-2-sulfonamide
CID 146570649

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide (CID 171874193) is 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(C(O)C(O)CCS)s1.
What is the InChIKey of 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide?
The InChIKey is ZBXHYTRVRZYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4S3/c9-16(12,13)7-2-1-6(15-7)8(11)5(10)3-4-14/h1-2,5,8,10-11,14H,3-4H2,(H2,9,12,13).
What are the key properties of 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide?
5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dihydroxy-4-sulfanylbutyl)thiophene-2-sulfonamide is sourced from PubChem (CID 171874193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).