4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one

C11H21NOS — CID 130663665

IUPAC4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one
SMILESCC(CS)CN1CCC(C)(C)CC1=O
InChIInChI=1S/C11H21NOS/c1-9(8-14)7-12-5-4-11(2,3)6-10(12)13/h9,14H,4-8H2,1-3H3
InChIKeyZVSUCQFBYRCJLD-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.20
Rot. Bonds3

About 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one

4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one (PubChem CID 130663665) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one
PubChem CID130663665
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one
SMILESCC(CS)CN1CCC(C)(C)CC1=O
InChIInChI=1S/C11H21NOS/c1-9(8-14)7-12-5-4-11(2,3)6-10(12)13/h9,14H,4-8H2,1-3H3
InChIKeyZVSUCQFBYRCJLD-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-aminopropyl]-5,5-dimethylazepan-2-one
CID 103934843
1-[(2R)-2-hydroxypropyl]-5,5-dimethylazepan-2-one
CID 103935407
3-(4,4-dimethyl-2-oxopiperidin-1-yl)propanethioamide
CID 126989654
4,4-dimethyl-1-(3-methylbutan-2-yl)piperidin-2-one
CID 134555227
1-but-3-ynyl-4,4-dimethylpiperidin-2-one
CID 130664265
4,4-dimethyl-1-pent-4-ynylpiperidin-2-one
CID 131115488
4,4-dimethyl-1-phosphanylpiperidin-2-one
CID 143261416
ethane;1,4,4-trimethylpiperidin-2-one
CID 143025002
3-(4,4-dimethyl-2-oxopiperidin-1-yl)butanoic acid
CID 112546718
1-(2-hydroxy-3-methoxy-3-methylbutyl)-5,5-dimethylazepan-2-one
CID 114228784
3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 21018613
5,5-dimethyl-1-[5-(methylamino)hexyl]azepan-2-one
CID 65284281

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one?
The IUPAC name of 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one (CID 130663665) is 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one?
The canonical SMILES for 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one is CC(CS)CN1CCC(C)(C)CC1=O.
What is the InChIKey of 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one?
The InChIKey is ZVSUCQFBYRCJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-9(8-14)7-12-5-4-11(2,3)6-10(12)13/h9,14H,4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one?
4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one has a molecular weight of 215.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methyl-3-sulfanylpropyl)piperidin-2-one is sourced from PubChem (CID 130663665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).