N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide

C9H15NO3S — CID 131140597

IUPACN-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)C1CCSC1
InChIInChI=1S/C9H15NO3S/c11-8-4-13-3-7(8)10-9(12)6-1-2-14-5-6/h6-8,11H,1-5H2,(H,10,12)/t6?,7-,8-/m1/s1
InChIKeyPTQZSKZUYSTZTH-SPDVFEMOSA-N
MW217.29 g/mol
LogP-0.38
Rot. Bonds2

About N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide

N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide (PubChem CID 131140597) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide
PubChem CID131140597
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1O)C1CCSC1
InChIInChI=1S/C9H15NO3S/c11-8-4-13-3-7(8)10-9(12)6-1-2-14-5-6/h6-8,11H,1-5H2,(H,10,12)/t6?,7-,8-/m1/s1
InChIKeyPTQZSKZUYSTZTH-SPDVFEMOSA-N
XLogP-0.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide (CID 131140597) is N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide is O=C(N[C@@H]1COC[C@H]1O)C1CCSC1.
What is the InChIKey of N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide?
The InChIKey is PTQZSKZUYSTZTH-SPDVFEMOSA-N. The full InChI is InChI=1S/C9H15NO3S/c11-8-4-13-3-7(8)10-9(12)6-1-2-14-5-6/h6-8,11H,1-5H2,(H,10,12)/t6?,7-,8-/m1/s1.
What are the key properties of N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide?
N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide has a molecular weight of 217.29 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxyoxolan-3-yl]thiolane-3-carboxamide is sourced from PubChem (CID 131140597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).