(2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide

C12H15NOS — CID 138985159

IUPAC(2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide
SMILESC[C@@]1(C(N)=O)SCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NOS/c1-12(11(13)14)10(7-8-15-12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,14)/t10-,12-/m1/s1
InChIKeyHKQSPZGVTJGUCF-ZYHUDNBSSA-N
MW221.33 g/mol
LogP2.15
Rot. Bonds2

About (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide

(2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide (PubChem CID 138985159) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide
PubChem CID138985159
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide
SMILESC[C@@]1(C(N)=O)SCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NOS/c1-12(11(13)14)10(7-8-15-12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,14)/t10-,12-/m1/s1
InChIKeyHKQSPZGVTJGUCF-ZYHUDNBSSA-N
XLogP2.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide?
The IUPAC name of (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide (CID 138985159) is (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide.
What is the SMILES notation for (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide?
The canonical SMILES for (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide is C[C@@]1(C(N)=O)SCC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide?
The InChIKey is HKQSPZGVTJGUCF-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H15NOS/c1-12(11(13)14)10(7-8-15-12)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H2,13,14)/t10-,12-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide?
(2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide has a molecular weight of 221.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-3-phenylthiolane-2-carboxamide is sourced from PubChem (CID 138985159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).