1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine

C16H18FNO2S — CID 64906195

IUPAC1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H18FNO2S/c1-18-16(11-8-9-21(19,20)10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11,16,18H,8-10H2,1H3
InChIKeyQDVNBDQHOAKLLH-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.67
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine

1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine (PubChem CID 64906195) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
PubChem CID64906195
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c2ccccc12)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H18FNO2S/c1-18-16(11-8-9-21(19,20)10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11,16,18H,8-10H2,1H3
InChIKeyQDVNBDQHOAKLLH-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine (CID 64906195) is 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine is CNC(c1ccc(F)c2ccccc12)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
The InChIKey is QDVNBDQHOAKLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-18-16(11-8-9-21(19,20)10-11)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11,16,18H,8-10H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine?
1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine has a molecular weight of 307.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 64906195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).