N,N,3,6-tetramethyl-5-oxoheptanethioamide

C11H21NOS — CID 12500644

IUPACN,N,3,6-tetramethyl-5-oxoheptanethioamide
SMILESCC(CC(=O)C(C)C)CC(=S)N(C)C
InChIInChI=1S/C11H21NOS/c1-8(2)10(13)6-9(3)7-11(14)12(4)5/h8-9H,6-7H2,1-5H3
InChIKeyQVAWDJUWFHTLON-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.52
Rot. Bonds5

About N,N,3,6-tetramethyl-5-oxoheptanethioamide

N,N,3,6-tetramethyl-5-oxoheptanethioamide (PubChem CID 12500644) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N,N,3,6-tetramethyl-5-oxoheptanethioamide.

Molecular Properties

Compound NameN,N,3,6-tetramethyl-5-oxoheptanethioamide
PubChem CID12500644
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN,N,3,6-tetramethyl-5-oxoheptanethioamide
SMILESCC(CC(=O)C(C)C)CC(=S)N(C)C
InChIInChI=1S/C11H21NOS/c1-8(2)10(13)6-9(3)7-11(14)12(4)5/h8-9H,6-7H2,1-5H3
InChIKeyQVAWDJUWFHTLON-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-(6-methyl-5-oxoheptyl)azanium
CID 58031180
1-(1-Butanethioylpiperidin-4-yl)propan-2-one
CID 58553190
7-(Dimethylamino)-2-methylheptan-3-one
CID 157787381
N,N-dimethyl-3-(2-oxocyclohexyl)butanethioamide
CID 12500659
N,N-diethyl-6-methyl-3-oxoheptanethioamide
CID 176921656
N,N-diethyl-4-methyl-3-oxohexanethioamide
CID 176922255

Frequently Asked Questions

What is the IUPAC name of N,N,3,6-tetramethyl-5-oxoheptanethioamide?
The IUPAC name of N,N,3,6-tetramethyl-5-oxoheptanethioamide (CID 12500644) is N,N,3,6-tetramethyl-5-oxoheptanethioamide.
What is the SMILES notation for N,N,3,6-tetramethyl-5-oxoheptanethioamide?
The canonical SMILES for N,N,3,6-tetramethyl-5-oxoheptanethioamide is CC(CC(=O)C(C)C)CC(=S)N(C)C.
What is the InChIKey of N,N,3,6-tetramethyl-5-oxoheptanethioamide?
The InChIKey is QVAWDJUWFHTLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8(2)10(13)6-9(3)7-11(14)12(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N,3,6-tetramethyl-5-oxoheptanethioamide?
N,N,3,6-tetramethyl-5-oxoheptanethioamide has a molecular weight of 215.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,6-tetramethyl-5-oxoheptanethioamide is sourced from PubChem (CID 12500644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).