[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine

C10H19NO3S — CID 165475538

IUPAC[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine
SMILESNCC1(C2CCCO2)CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO3S/c11-8-10(9-2-1-5-14-9)3-6-15(12,13)7-4-10/h9H,1-8,11H2
InChIKeySMIOQABBOIFIQC-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.32
Rot. Bonds2

About [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine

[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine (PubChem CID 165475538) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine.

Molecular Properties

Compound Name[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine
PubChem CID165475538
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine
SMILESNCC1(C2CCCO2)CCS(=O)(=O)CC1
InChIInChI=1S/C10H19NO3S/c11-8-10(9-2-1-5-14-9)3-6-15(12,13)7-4-10/h9H,1-8,11H2
InChIKeySMIOQABBOIFIQC-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine?
The IUPAC name of [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine (CID 165475538) is [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine.
What is the SMILES notation for [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine?
The canonical SMILES for [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine is NCC1(C2CCCO2)CCS(=O)(=O)CC1.
What is the InChIKey of [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine?
The InChIKey is SMIOQABBOIFIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c11-8-10(9-2-1-5-14-9)3-6-15(12,13)7-4-10/h9H,1-8,11H2.
What are the key properties of [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine?
[1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine has a molecular weight of 233.33 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dioxo-4-(oxolan-2-yl)thian-4-yl]methanamine is sourced from PubChem (CID 165475538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).