1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine

C9H17NO3S — CID 43191002

IUPAC1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCOC2)C1
InChIInChI=1S/C9H17NO3S/c11-14(12)4-2-9(7-14)10-5-8-1-3-13-6-8/h8-10H,1-7H2
InChIKeySMXMASFUIGOTMJ-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.20
Rot. Bonds3

About 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine

1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine (PubChem CID 43191002) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
PubChem CID43191002
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine
SMILESO=S1(=O)CCC(NCC2CCOC2)C1
InChIInChI=1S/C9H17NO3S/c11-14(12)4-2-9(7-14)10-5-8-1-3-13-6-8/h8-10H,1-7H2
InChIKeySMXMASFUIGOTMJ-UHFFFAOYSA-N
XLogP-0.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
The IUPAC name of 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine (CID 43191002) is 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine is O=S1(=O)CCC(NCC2CCOC2)C1.
What is the InChIKey of 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
The InChIKey is SMXMASFUIGOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-14(12)4-2-9(7-14)10-5-8-1-3-13-6-8/h8-10H,1-7H2.
What are the key properties of 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine?
1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine has a molecular weight of 219.31 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(oxolan-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 43191002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).