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

C12H23NO3S — CID 118669221

IUPACN-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO3S/c1-4-7-12(2,3)11(14)13-10-5-8-17(15,16)9-6-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyRJZFAJUETOXQJE-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.51
Rot. Bonds4

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

N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide (PubChem CID 118669221) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide
PubChem CID118669221
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO3S/c1-4-7-12(2,3)11(14)13-10-5-8-17(15,16)9-6-10/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyRJZFAJUETOXQJE-UHFFFAOYSA-N
XLogP1.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.51
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-dimethylpentanamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide (CID 118669221) is N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide is CCCC(C)(C)C(=O)NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide?
The InChIKey is RJZFAJUETOXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-4-7-12(2,3)11(14)13-10-5-8-17(15,16)9-6-10/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide?
N-(1,1-dioxothian-4-yl)-2,2-dimethylpentanamide has a molecular weight of 261.39 g/mol, XLogP of 1.51, 4 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-dimethylpentanamide is sourced from PubChem (CID 118669221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).