N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide

C13H15NO3S3 — CID 164636569

IUPACN-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)C1CC1
InChIInChI=1S/C13H15NO3S3/c15-10(8-14-20(16,17)9-3-4-9)11-5-6-13(19-11)12-2-1-7-18-12/h1-2,5-7,9-10,14-15H,3-4,8H2/t10-/m0/s1
InChIKeyKJHBFAPROHIMDT-JTQLQIEISA-N
MW329.47 g/mol
LogP2.59
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide

N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide (PubChem CID 164636569) has the molecular formula C13H15NO3S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
PubChem CID164636569
Molecular FormulaC13H15NO3S3
Molecular Weight329.47 g/mol
Exact Mass329.02
IUPAC NameN-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)C1CC1
InChIInChI=1S/C13H15NO3S3/c15-10(8-14-20(16,17)9-3-4-9)11-5-6-13(19-11)12-2-1-7-18-12/h1-2,5-7,9-10,14-15H,3-4,8H2/t10-/m0/s1
InChIKeyKJHBFAPROHIMDT-JTQLQIEISA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzenesulfonamide
CID 71782492
N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787848
2,6-difluoro-N-(3-hydroxy-3-(thiophen-2-yl)propyl)benzenesulfonamide
CID 71787853
[5-(Aminomethyl)-2-thienyl](2-thienyl)methanol
CID 71778092
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-({5-[Hydroxy(thiophen-2-YL)methyl]thiophen-2-YL}methyl)cyclopropanesulfonamide
CID 71804667
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)cyclopropanesulfonamide
CID 91630875
(S)-3-(cyclopropylsulfonylamino)-1-(2-thienyl)-1-propanol
CID 96350505
[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl](2-thienylsulfonyl)amine
CID 97417504
2-fluoro-N-((5-(hydroxy(thiophen-2-yl)methyl)thiophen-2-yl)methyl)benzenesulfonamide
CID 71804668
N-[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]thiophene-2-sulfonamide
CID 96350509

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide (CID 164636569) is N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)s1)C1CC1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is KJHBFAPROHIMDT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15NO3S3/c15-10(8-14-20(16,17)9-3-4-9)11-5-6-13(19-11)12-2-1-7-18-12/h1-2,5-7,9-10,14-15H,3-4,8H2/t10-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide?
N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 164636569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).