N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide

C12H19NO2S — CID 95982626

IUPACN-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCc1ccsc1[C@@H](O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H19NO2S/c1-8-5-6-16-10(8)9(14)7-13-11(15)12(2,3)4/h5-6,9,14H,7H2,1-4H3,(H,13,15)/t9-/m0/s1
InChIKeyHCJYDPZJDCODEN-VIFPVBQESA-N
MW241.36 g/mol
LogP2.25
Rot. Bonds3

About N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide

N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 95982626) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID95982626
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide
SMILESCc1ccsc1[C@@H](O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H19NO2S/c1-8-5-6-16-10(8)9(14)7-13-11(15)12(2,3)4/h5-6,9,14H,7H2,1-4H3,(H,13,15)/t9-/m0/s1
InChIKeyHCJYDPZJDCODEN-VIFPVBQESA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 112725782
N'-(2,6-dimethylphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496911
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclohexanecarboxamide
CID 90496727
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 160892074
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 90496966
1-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-(3-methylphenyl)urea
CID 90496950
3,4-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 95366989
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-propylbenzamide
CID 90496748
N-[2-(3,4-dimethylphenyl)-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 82119184
2-(4-fluorophenyl)sulfanyl-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781686
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 71781685

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide (CID 95982626) is N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide is Cc1ccsc1[C@@H](O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is HCJYDPZJDCODEN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8-5-6-16-10(8)9(14)7-13-11(15)12(2,3)4/h5-6,9,14H,7H2,1-4H3,(H,13,15)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide?
N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95982626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).