N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide

C15H23NO2S — CID 164631717

IUPACN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide
SMILESCC1(C)C[C@@H](CNC(=O)CCc2ccsc2)CCO1
InChIInChI=1S/C15H23NO2S/c1-15(2)9-13(5-7-18-15)10-16-14(17)4-3-12-6-8-19-11-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyKWMSVIFBOZDJJT-ZDUSSCGKSA-N
MW281.42 g/mol
LogP3.00
Rot. Bonds5

About N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide

N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide (PubChem CID 164631717) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide
PubChem CID164631717
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide
SMILESCC1(C)C[C@@H](CNC(=O)CCc2ccsc2)CCO1
InChIInChI=1S/C15H23NO2S/c1-15(2)9-13(5-7-18-15)10-16-14(17)4-3-12-6-8-19-11-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyKWMSVIFBOZDJJT-ZDUSSCGKSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-[1-(3-thienylacetyl)piperidin-4-yl]propanamide
CID 23723469
N-isopentyl-4-(thiophen-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 7217405
N-Methyl-N-[(oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91914991
N-isobutyl-4-(thiophen-2-yl)tetrahydro-2H-pyran-4-carboxamide
CID 7243570
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-2-(thiophen-3-yl)acetamide
CID 76147769
N-[(Oxan-4-YL)methyl]-2-(thiophen-2-YL)acetamide
CID 91905146
N-[(Oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91905149
N-{[4-(thiophen-3-yl)oxan-4-yl]methyl}cyclobutanecarboxamide
CID 132372261
(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide
CID 164634951
N-[1-(oxolan-2-yl)ethyl]-3-thiophen-3-ylpropanamide
CID 45812315
N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 45843182
N-(oxolan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 45843826

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide (CID 164631717) is N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide is CC1(C)C[C@@H](CNC(=O)CCc2ccsc2)CCO1.
What is the InChIKey of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide?
The InChIKey is KWMSVIFBOZDJJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-15(2)9-13(5-7-18-15)10-16-14(17)4-3-12-6-8-19-11-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide?
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 164631717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).