(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide

C15H21NO3S — CID 164634951

IUPAC(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(c2ccsc2)CCOCC1)[C@H]1CCOC1
InChIInChI=1S/C15H21NO3S/c17-14(12-1-5-19-9-12)16-11-15(3-6-18-7-4-15)13-2-8-20-10-13/h2,8,10,12H,1,3-7,9,11H2,(H,16,17)/t12-/m0/s1
InChIKeyPIFDBSITFGQSHT-LBPRGKRZSA-N
MW295.40 g/mol
LogP1.95
Rot. Bonds4

About (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide

(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 164634951) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide
PubChem CID164634951
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(c2ccsc2)CCOCC1)[C@H]1CCOC1
InChIInChI=1S/C15H21NO3S/c17-14(12-1-5-19-9-12)16-11-15(3-6-18-7-4-15)13-2-8-20-10-13/h2,8,10,12H,1,3-7,9,11H2,(H,16,17)/t12-/m0/s1
InChIKeyPIFDBSITFGQSHT-LBPRGKRZSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(2-thiophen-3-ylpropyl)propanamide
CID 71985779
1-[4-[(3S,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 91921189
N-[(Oxan-4-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91905149
N-{[4-(thiophen-3-yl)oxan-4-yl]methyl}cyclobutanecarboxamide
CID 132372261
2-ethoxy-N-((4-(thiophen-3-yl)tetrahydro-2H-pyran-4-yl)methyl)acetamide
CID 132450818
N-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-3-thiophen-3-ylpropanamide
CID 164631717
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)cyclopropanecarboxamide
CID 30943567
N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 45843182
Tetrahydro-3-furoic acid (2-thiophen-3-yl-ethyl)-amide
CID 53707289
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)isobutyramide
CID 30943570
4-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-5-oxooxolane-3-carboxamide
CID 45170439
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)butyramide
CID 45561652

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide (CID 164634951) is (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide is O=C(NCC1(c2ccsc2)CCOCC1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is PIFDBSITFGQSHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21NO3S/c17-14(12-1-5-19-9-12)16-11-15(3-6-18-7-4-15)13-2-8-20-10-13/h2,8,10,12H,1,3-7,9,11H2,(H,16,17)/t12-/m0/s1.
What are the key properties of (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide?
(3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4-thiophen-3-yloxan-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 164634951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).