N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide

C11H13NO3S3 — CID 99981321

IUPACN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccsc1)c1cccs1
InChIInChI=1S/C11H13NO3S3/c13-10(9-4-7-16-8-9)3-5-12-18(14,15)11-2-1-6-17-11/h1-2,4,6-8,10,12-13H,3,5H2/t10-/m0/s1
InChIKeyUGMBQJDTYCNCFD-JTQLQIEISA-N
MW303.43 g/mol
LogP2.21
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide

N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide (PubChem CID 99981321) has the molecular formula C11H13NO3S3 and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide
PubChem CID99981321
Molecular FormulaC11H13NO3S3
Molecular Weight303.43 g/mol
Exact Mass303.01
IUPAC NameN-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCC[C@H](O)c1ccsc1)c1cccs1
InChIInChI=1S/C11H13NO3S3/c13-10(9-4-7-16-8-9)3-5-12-18(14,15)11-2-1-6-17-11/h1-2,4,6-8,10,12-13H,3,5H2/t10-/m0/s1
InChIKeyUGMBQJDTYCNCFD-JTQLQIEISA-N
XLogP2.21
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide (CID 99981321) is N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide is O=S(=O)(NCC[C@H](O)c1ccsc1)c1cccs1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide?
The InChIKey is UGMBQJDTYCNCFD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13NO3S3/c13-10(9-4-7-16-8-9)3-5-12-18(14,15)11-2-1-6-17-11/h1-2,4,6-8,10,12-13H,3,5H2/t10-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide?
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide has a molecular weight of 303.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 99981321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).