4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol

C9H19NO3S — CID 61166838

IUPAC4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
SMILESCC(C)(C)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C9H19NO3S/c1-9(2,3)6-10-7-4-14(12,13)5-8(7)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyUVDAICGEPAFSPY-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.22
Rot. Bonds2

About 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol

4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol (PubChem CID 61166838) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
PubChem CID61166838
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
SMILESCC(C)(C)CNC1CS(=O)(=O)CC1O
InChIInChI=1S/C9H19NO3S/c1-9(2,3)6-10-7-4-14(12,13)5-8(7)11/h7-8,10-11H,4-6H2,1-3H3
InChIKeyUVDAICGEPAFSPY-UHFFFAOYSA-N
XLogP-0.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol (CID 61166838) is 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol is CC(C)(C)CNC1CS(=O)(=O)CC1O.
What is the InChIKey of 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol?
The InChIKey is UVDAICGEPAFSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-9(2,3)6-10-7-4-14(12,13)5-8(7)11/h7-8,10-11H,4-6H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol?
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol has a molecular weight of 221.32 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 61166838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).