1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine

C10H15NO3S — CID 115336729

IUPAC1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO3S/c1-11-10(8-2-4-14-6-8)9-3-5-15(12,13)7-9/h2,4,6,9-11H,3,5,7H2,1H3
InChIKeyWDBWWOXHNHAKOF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.97
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine

1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 115336729) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
PubChem CID115336729
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
SMILESCNC(c1ccoc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO3S/c1-11-10(8-2-4-14-6-8)9-3-5-15(12,13)7-9/h2,4,6,9-11H,3,5,7H2,1H3
InChIKeyWDBWWOXHNHAKOF-UHFFFAOYSA-N
XLogP0.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)-(furan-3-yl)methyl]propan-1-amine
CID 113289806
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115336731
1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 114519704
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115336746
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114938191
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 107293620
1-(cyclopenten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64904121
1-(1,1-dioxothiolan-3-yl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 113461746
1-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64906824
N-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55161654
1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 106654139

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine (CID 115336729) is 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine is CNC(c1ccoc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is WDBWWOXHNHAKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-11-10(8-2-4-14-6-8)9-3-5-15(12,13)7-9/h2,4,6,9-11H,3,5,7H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine?
1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 229.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 115336729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).