(2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide

C10H17NO2S — CID 7270069

IUPAC(2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide
SMILESCCC[C@@H](C)C(=O)N[C@@H]1CCSC1=O
InChIInChI=1S/C10H17NO2S/c1-3-4-7(2)9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyMPVYGOCMNUHQEV-HTQZYQBOSA-N
MW215.32 g/mol
LogP1.57
Rot. Bonds4

About (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide

(2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide (PubChem CID 7270069) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide
PubChem CID7270069
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name(2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide
SMILESCCC[C@@H](C)C(=O)N[C@@H]1CCSC1=O
InChIInChI=1S/C10H17NO2S/c1-3-4-7(2)9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyMPVYGOCMNUHQEV-HTQZYQBOSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide?
The IUPAC name of (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide (CID 7270069) is (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide.
What is the SMILES notation for (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide?
The canonical SMILES for (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide is CCC[C@@H](C)C(=O)N[C@@H]1CCSC1=O.
What is the InChIKey of (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide?
The InChIKey is MPVYGOCMNUHQEV-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-4-7(2)9(12)11-8-5-6-14-10(8)13/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide?
(2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide has a molecular weight of 215.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[(3R)-2-oxothiolan-3-yl]pentanamide is sourced from PubChem (CID 7270069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).