4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one

C11H21NOS — CID 62624932

IUPAC4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one
SMILESCC(C)(C)C(=O)CCN1CCSCC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)10(13)4-5-12-6-8-14-9-7-12/h4-9H2,1-3H3
InChIKeyDCYOQHXEKHDPLR-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.04
Rot. Bonds3

About 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one

4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one (PubChem CID 62624932) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one.

Molecular Properties

Compound Name4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one
PubChem CID62624932
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one
SMILESCC(C)(C)C(=O)CCN1CCSCC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)10(13)4-5-12-6-8-14-9-7-12/h4-9H2,1-3H3
InChIKeyDCYOQHXEKHDPLR-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 62625465
4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-one
CID 62624586
tert-butyl 3-(1,4-thiazepan-4-yl)propanoate
CID 116662810
1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 118358850
1-(1,1-dioxo-1,4-thiazepan-4-yl)-4,4-dimethylpentan-3-one
CID 103578357
1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
CID 103578354
3-(1,4-thiazepan-4-yl)propanoic acid
CID 61419192
2,2-dimethyl-3-thiomorpholin-4-ylpropanoic acid
CID 59815681
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
2,2-dimethyl-N'-(2-thiomorpholin-4-ylethyl)propanimidamide
CID 106327282
3-thiomorpholin-4-ylpropanethioamide
CID 28787445

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one?
The IUPAC name of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one (CID 62624932) is 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one.
What is the SMILES notation for 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one?
The canonical SMILES for 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one is CC(C)(C)C(=O)CCN1CCSCC1.
What is the InChIKey of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one?
The InChIKey is DCYOQHXEKHDPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-11(2,3)10(13)4-5-12-6-8-14-9-7-12/h4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one?
4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one has a molecular weight of 215.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one is sourced from PubChem (CID 62624932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).