4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol

C8H17NO3S — CID 105460996

IUPAC4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol
SMILESCC(C)(N)C1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-7(2,9)8(10)3-5-13(11,12)6-4-8/h10H,3-6,9H2,1-2H3
InChIKeyAAOZVUDZSRGVTD-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.34
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol

4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol (PubChem CID 105460996) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol
PubChem CID105460996
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol
SMILESCC(C)(N)C1(O)CCS(=O)(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-7(2,9)8(10)3-5-13(11,12)6-4-8/h10H,3-6,9H2,1-2H3
InChIKeyAAOZVUDZSRGVTD-UHFFFAOYSA-N
XLogP-0.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol?
The IUPAC name of 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol (CID 105460996) is 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol is CC(C)(N)C1(O)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol?
The InChIKey is AAOZVUDZSRGVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2,9)8(10)3-5-13(11,12)6-4-8/h10H,3-6,9H2,1-2H3.
What are the key properties of 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol?
4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol has a molecular weight of 207.29 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-1,1-dioxothian-4-ol is sourced from PubChem (CID 105460996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).