N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide

C13H15NO2S2 — CID 95629256

IUPACN-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-18(15,16)14-12(13-8-5-9-17-13)10-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3/t12-/m0/s1
InChIKeyBKQPCAMNORVFIL-LBPRGKRZSA-N
MW281.40 g/mol
LogP2.58
Rot. Bonds5

About N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide

N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide (PubChem CID 95629256) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide
PubChem CID95629256
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC NameN-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-18(15,16)14-12(13-8-5-9-17-13)10-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3/t12-/m0/s1
InChIKeyBKQPCAMNORVFIL-LBPRGKRZSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide?
The IUPAC name of N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide (CID 95629256) is N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide.
What is the SMILES notation for N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide?
The canonical SMILES for N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide is CS(=O)(=O)N[C@@H](Cc1ccccc1)c1cccs1.
What is the InChIKey of N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide?
The InChIKey is BKQPCAMNORVFIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-18(15,16)14-12(13-8-5-9-17-13)10-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3/t12-/m0/s1.
What are the key properties of N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide?
N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide has a molecular weight of 281.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]methanesulfonamide is sourced from PubChem (CID 95629256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).