N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide

C12H17NO3S — CID 164632068

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H]1CCOC[C@@H]1O
InChIInChI=1S/C12H17NO3S/c14-11-7-16-5-3-10(11)13-12(15)2-1-9-4-6-17-8-9/h4,6,8,10-11,14H,1-3,5,7H2,(H,13,15)/t10-,11-/m0/s1
InChIKeyBZYVUNSLCHYJRG-QWRGUYRKSA-N
MW255.34 g/mol
LogP0.95
Rot. Bonds4

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide (PubChem CID 164632068) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide
PubChem CID164632068
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide
SMILESO=C(CCc1ccsc1)N[C@H]1CCOC[C@@H]1O
InChIInChI=1S/C12H17NO3S/c14-11-7-16-5-3-10(11)13-12(15)2-1-9-4-6-17-8-9/h4,6,8,10-11,14H,1-3,5,7H2,(H,13,15)/t10-,11-/m0/s1
InChIKeyBZYVUNSLCHYJRG-QWRGUYRKSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145966010
1-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 145975442
N-[2-(2-hydroxyethoxy)ethyl]-2-(thiophen-3-yl)acetamide
CID 60654542
N-((4-hydroxytetrahydro-2H-pyran-4-yl)methyl)-2-(thiophen-3-yl)acetamide
CID 76147769
1,5-anhydro-2,3-dideoxy-3-{[(4,5-dimethyl-2-thienyl)carbonyl]amino}-D-threo-pentitol
CID 91762338
1,5-anhydro-2,3-dideoxy-3-{[(5-isopropyl-3-thienyl)carbonyl]amino}-D-threo-pentitol
CID 91762989
1,5-anhydro-2,3-dideoxy-4-O-(2-hydroxyethyl)-3-[(3-thienylacetyl)amino]-D-threo-pentitol
CID 91792764
N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]-3-thiophen-3-ylpropanamide
CID 137977420
N-(oxolan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 45843826
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-thiophen-3-ylpropanamide
CID 162716852
N-((1r,4r)-4-hydroxycyclohexyl)-2-(thiophen-3-yl)acetamide
CID 43389275
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 49748695

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide (CID 164632068) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide is O=C(CCc1ccsc1)N[C@H]1CCOC[C@@H]1O.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide?
The InChIKey is BZYVUNSLCHYJRG-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-11-7-16-5-3-10(11)13-12(15)2-1-9-4-6-17-8-9/h4,6,8,10-11,14H,1-3,5,7H2,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 164632068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).