N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide

C12H15NO3S3 — CID 97071633

IUPACN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)s1
InChIInChI=1S/C12H15NO3S3/c1-9-3-4-11(18-9)19(15,16)13-8-12(2,14)10-5-6-17-7-10/h3-7,13-14H,8H2,1-2H3/t12-/m0/s1
InChIKeyOOPGYIHKOQZKJA-LBPRGKRZSA-N
MW317.46 g/mol
LogP2.30
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide

N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide (PubChem CID 97071633) has the molecular formula C12H15NO3S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide
PubChem CID97071633
Molecular FormulaC12H15NO3S3
Molecular Weight317.46 g/mol
Exact Mass317.02
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)s1
InChIInChI=1S/C12H15NO3S3/c1-9-3-4-11(18-9)19(15,16)13-8-12(2,14)10-5-6-17-7-10/h3-7,13-14H,8H2,1-2H3/t12-/m0/s1
InChIKeyOOPGYIHKOQZKJA-LBPRGKRZSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)propane-1-sulfonamide
CID 72003034
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)thiophene-2-sulfonamide
CID 71781697
N-[2-hydroxy-2-(thiophen-2-yl)propyl]methanesulfonamide
CID 71782462
5-chloro-N-[2-hydroxy-2-(thiophen-2-yl)propyl]thiophene-2-sulfonamide
CID 71782471
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-methoxyethanesulfonamide
CID 75400460
(S)-2-(5-chloro-2-thienylsulfonylamino)-1-(3-methyl-2-thienyl)-1-ethanol
CID 95367031
(S)-1,1,1-trifluoro-2-phenyl-3-(2-thienylsulfonylamino)-2-propanol
CID 95376529
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]thiophene-2-sulfonamide
CID 95379477
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]methanesulfonamide
CID 95983458
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]thiophene-2-sulfonamide
CID 99981321
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide
CID 129416744
1-(3-fluorophenyl)-N-[2-hydroxy-2-(thiophen-2-yl)propyl]methanesulfonamide
CID 71782468

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide (CID 97071633) is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)s1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is OOPGYIHKOQZKJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15NO3S3/c1-9-3-4-11(18-9)19(15,16)13-8-12(2,14)10-5-6-17-7-10/h3-7,13-14H,8H2,1-2H3/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide?
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 97071633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).