N-(1,1-dioxothiolan-3-yl)oxan-4-amine

C9H17NO3S — CID 43608329

IUPACN-(1,1-dioxothiolan-3-yl)oxan-4-amine
SMILESO=S1(=O)CCC(NC2CCOCC2)C1
InChIInChI=1S/C9H17NO3S/c11-14(12)6-3-9(7-14)10-8-1-4-13-5-2-8/h8-10H,1-7H2
InChIKeySKTPCKQWJRGGKK-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.06
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)oxan-4-amine

N-(1,1-dioxothiolan-3-yl)oxan-4-amine (PubChem CID 43608329) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)oxan-4-amine
PubChem CID43608329
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)oxan-4-amine
SMILESO=S1(=O)CCC(NC2CCOCC2)C1
InChIInChI=1S/C9H17NO3S/c11-14(12)6-3-9(7-14)10-8-1-4-13-5-2-8/h8-10H,1-7H2
InChIKeySKTPCKQWJRGGKK-UHFFFAOYSA-N
XLogP-0.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)oxan-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)oxan-4-amine (CID 43608329) is N-(1,1-dioxothiolan-3-yl)oxan-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)oxan-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)oxan-4-amine is O=S1(=O)CCC(NC2CCOCC2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)oxan-4-amine?
The InChIKey is SKTPCKQWJRGGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c11-14(12)6-3-9(7-14)10-8-1-4-13-5-2-8/h8-10H,1-7H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)oxan-4-amine?
N-(1,1-dioxothiolan-3-yl)oxan-4-amine has a molecular weight of 219.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)oxan-4-amine is sourced from PubChem (CID 43608329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).