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

C14H27NO3S — CID 130266051

IUPACN-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C14H27NO3S/c1-13(2,3)10-14(4,5)12(16)15-11-6-8-19(17,18)9-7-11/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyVQJUCSNEEAGHHF-UHFFFAOYSA-N
MW289.44 g/mol
LogP2.14
Rot. Bonds3

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

N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide (PubChem CID 130266051) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide
PubChem CID130266051
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide
SMILESCC(C)(C)CC(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C14H27NO3S/c1-13(2,3)10-14(4,5)12(16)15-11-6-8-19(17,18)9-7-11/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyVQJUCSNEEAGHHF-UHFFFAOYSA-N
XLogP2.14
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.14
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-tetramethylpentanamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide (CID 130266051) is N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide is CC(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-tetramethylpentanamide?
The InChIKey is VQJUCSNEEAGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-13(2,3)10-14(4,5)12(16)15-11-6-8-19(17,18)9-7-11/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide?
N-(1,1-dioxothian-4-yl)-2,2,4,4-tetramethylpentanamide has a molecular weight of 289.44 g/mol, XLogP of 2.14, 3 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-tetramethylpentanamide is sourced from PubChem (CID 130266051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).