(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one

C10H19NOS — CID 71121824

IUPAC(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCC[C@H](C)[C@H](C)C(=O)N1CCSC1
InChIInChI=1S/C10H19NOS/c1-4-8(2)9(3)10(12)11-5-6-13-7-11/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyROMUXVILGQDCDD-IUCAKERBSA-N
MW201.33 g/mol
LogP2.20
Rot. Bonds3

About (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one

(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one (PubChem CID 71121824) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
PubChem CID71121824
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESCC[C@H](C)[C@H](C)C(=O)N1CCSC1
InChIInChI=1S/C10H19NOS/c1-4-8(2)9(3)10(12)11-5-6-13-7-11/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyROMUXVILGQDCDD-IUCAKERBSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The IUPAC name of (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one (CID 71121824) is (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one.
What is the SMILES notation for (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The canonical SMILES for (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one is CC[C@H](C)[C@H](C)C(=O)N1CCSC1.
What is the InChIKey of (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The InChIKey is ROMUXVILGQDCDD-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NOS/c1-4-8(2)9(3)10(12)11-5-6-13-7-11/h8-9H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one?
(2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one has a molecular weight of 201.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethyl-1-(1,3-thiazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 71121824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).