N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide

C11H13NO3S3 — CID 129416744

IUPACN-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C11H13NO3S3/c1-18(14,15)12-8-11(13,9-4-6-16-7-9)10-3-2-5-17-10/h2-7,12-13H,8H2,1H3/t11-/m0/s1
InChIKeyHAQMMOKPDGJKJR-NSHDSACASA-N
MW303.43 g/mol
LogP1.59
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide

N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide (PubChem CID 129416744) has the molecular formula C11H13NO3S3 and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide
PubChem CID129416744
Molecular FormulaC11H13NO3S3
Molecular Weight303.43 g/mol
Exact Mass303.01
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C11H13NO3S3/c1-18(14,15)12-8-11(13,9-4-6-16-7-9)10-3-2-5-17-10/h2-7,12-13H,8H2,1H3/t11-/m0/s1
InChIKeyHAQMMOKPDGJKJR-NSHDSACASA-N
XLogP1.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(thiophen-2-yl)propyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796922
N-(2-hydroxy-2-thiophen-3-ylpropyl)propane-1-sulfonamide
CID 72003034
(S)-1,1,1-trifluoro-2-phenyl-3-(2-thienylsulfonylamino)-2-propanol
CID 95376529
(R)-1-cyclopropyl-2-(o-fluorophenylsulfonylamino)-1-(2-thienyl)-1-ethanol
CID 95982755
N-(2-hydroxy-2-(3-methylthiophen-2-yl)ethyl)thiophene-2-sulfonamide
CID 71781697
N-[2-Cyclopropyl-2-hydroxy-2-(thiophen-2-YL)ethyl]thiophene-2-sulfonamide
CID 71781747
N-[2-hydroxy-2-(thiophen-2-yl)propyl]methanesulfonamide
CID 71782462
N-[2-hydroxy-2-(thiophen-2-yl)propyl]butane-1-sulfonamide
CID 71782464
(E)-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)-2-phenylethenesulfonamide
CID 71804669
(E)-N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-phenylethenesulfonamide
CID 86264007
N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)methanesulfonamide
CID 86264192
(S)-1-cyclopropyl-2-(5-ethyl-2-thienylsulfonylamino)-1-phenyl-1-ethanol
CID 95379496

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide (CID 129416744) is N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide is CS(=O)(=O)NC[C@](O)(c1ccsc1)c1cccs1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide?
The InChIKey is HAQMMOKPDGJKJR-NSHDSACASA-N. The full InChI is InChI=1S/C11H13NO3S3/c1-18(14,15)12-8-11(13,9-4-6-16-7-9)10-3-2-5-17-10/h2-7,12-13H,8H2,1H3/t11-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide?
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]methanesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 1.59, 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-2-yl-2-thiophen-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 129416744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).