2-[(2S)-butan-2-yl]thiomorpholin-3-one

C8H15NOS — CID 22879128

IUPAC2-[(2S)-butan-2-yl]thiomorpholin-3-one
SMILESCC[C@H](C)C1SCCNC1=O
InChIInChI=1S/C8H15NOS/c1-3-6(2)7-8(10)9-4-5-11-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?/m0/s1
InChIKeyGALBCILFBCTGIZ-PKPIPKONSA-N
MW173.28 g/mol
LogP1.26
Rot. Bonds2

About 2-[(2S)-butan-2-yl]thiomorpholin-3-one

2-[(2S)-butan-2-yl]thiomorpholin-3-one (PubChem CID 22879128) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]thiomorpholin-3-one.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]thiomorpholin-3-one
PubChem CID22879128
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-[(2S)-butan-2-yl]thiomorpholin-3-one
SMILESCC[C@H](C)C1SCCNC1=O
InChIInChI=1S/C8H15NOS/c1-3-6(2)7-8(10)9-4-5-11-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?/m0/s1
InChIKeyGALBCILFBCTGIZ-PKPIPKONSA-N
XLogP1.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]thiomorpholin-3-one?
The IUPAC name of 2-[(2S)-butan-2-yl]thiomorpholin-3-one (CID 22879128) is 2-[(2S)-butan-2-yl]thiomorpholin-3-one.
What is the SMILES notation for 2-[(2S)-butan-2-yl]thiomorpholin-3-one?
The canonical SMILES for 2-[(2S)-butan-2-yl]thiomorpholin-3-one is CC[C@H](C)C1SCCNC1=O.
What is the InChIKey of 2-[(2S)-butan-2-yl]thiomorpholin-3-one?
The InChIKey is GALBCILFBCTGIZ-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15NOS/c1-3-6(2)7-8(10)9-4-5-11-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7?/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]thiomorpholin-3-one?
2-[(2S)-butan-2-yl]thiomorpholin-3-one has a molecular weight of 173.28 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]thiomorpholin-3-one is sourced from PubChem (CID 22879128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).