1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one

C10H19NO3S — CID 58143447

IUPAC1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one
SMILESCC(=O)C(C1CCS(=O)(=O)CC1)N(C)C
InChIInChI=1S/C10H19NO3S/c1-8(12)10(11(2)3)9-4-6-15(13,14)7-5-9/h9-10H,4-7H2,1-3H3
InChIKeyWPWVRNQLMGUWII-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.33
Rot. Bonds3

About 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one

1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one (PubChem CID 58143447) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one
PubChem CID58143447
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one
SMILESCC(=O)C(C1CCS(=O)(=O)CC1)N(C)C
InChIInChI=1S/C10H19NO3S/c1-8(12)10(11(2)3)9-4-6-15(13,14)7-5-9/h9-10H,4-7H2,1-3H3
InChIKeyWPWVRNQLMGUWII-UHFFFAOYSA-N
XLogP0.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one?
The IUPAC name of 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one (CID 58143447) is 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one is CC(=O)C(C1CCS(=O)(=O)CC1)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one?
The InChIKey is WPWVRNQLMGUWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-8(12)10(11(2)3)9-4-6-15(13,14)7-5-9/h9-10H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one?
1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one has a molecular weight of 233.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(1,1-dioxothian-4-yl)propan-2-one is sourced from PubChem (CID 58143447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).