N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide

C10H19NO3S — CID 110848361

IUPACN-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide
SMILESCC(C)CNC(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)7-11-10(12)9-3-5-15(13,14)6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyCWSFBEKWPUXYOO-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.58
Rot. Bonds3

About N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide

N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide (PubChem CID 110848361) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide
PubChem CID110848361
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC NameN-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide
SMILESCC(C)CNC(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO3S/c1-8(2)7-11-10(12)9-3-5-15(13,14)6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12)
InChIKeyCWSFBEKWPUXYOO-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(4-methyl-1,1-dioxothian-4-yl)methyl]-3-sulfanylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide (CID 110848361) is N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide is CC(C)CNC(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide?
The InChIKey is CWSFBEKWPUXYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(2)7-11-10(12)9-3-5-15(13,14)6-4-9/h8-9H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide?
N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide has a molecular weight of 233.33 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 110848361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).