N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide

C15H29NO3S — CID 130272266

IUPACN-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide
SMILESCCC(C)(C)CC(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C15H29NO3S/c1-6-14(2,3)11-15(4,5)13(17)16-12-7-9-20(18,19)10-8-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyDQFYQBCUQIAJDB-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.53
Rot. Bonds5

About N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide

N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide (PubChem CID 130272266) has the molecular formula C15H29NO3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide
PubChem CID130272266
Molecular FormulaC15H29NO3S
Molecular Weight303.47 g/mol
Exact Mass303.19
IUPAC NameN-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide
SMILESCCC(C)(C)CC(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C15H29NO3S/c1-6-14(2,3)11-15(4,5)13(17)16-12-7-9-20(18,19)10-8-12/h12H,6-11H2,1-5H3,(H,16,17)
InChIKeyDQFYQBCUQIAJDB-UHFFFAOYSA-N
XLogP2.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide (CID 130272266) is N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide is CCC(C)(C)CC(C)(C)C(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide?
The InChIKey is DQFYQBCUQIAJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3S/c1-6-14(2,3)11-15(4,5)13(17)16-12-7-9-20(18,19)10-8-12/h12H,6-11H2,1-5H3,(H,16,17).
What are the key properties of N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide?
N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide has a molecular weight of 303.47 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylhexanamide is sourced from PubChem (CID 130272266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).