1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine

C14H21FN2O2S2 — CID 102921065

IUPAC1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)cc1S(=O)(=O)N1CCSC(C)C1C
InChIInChI=1S/C14H21FN2O2S2/c1-10-11(2)20-7-6-17(10)21(18,19)14-8-13(15)5-4-12(14)9-16-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyDEEJXHSOFLOETC-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.06
Rot. Bonds4

About 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine

1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine (PubChem CID 102921065) has the molecular formula C14H21FN2O2S2 and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine
PubChem CID102921065
Molecular FormulaC14H21FN2O2S2
Molecular Weight332.47 g/mol
Exact Mass332.10
IUPAC Name1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)cc1S(=O)(=O)N1CCSC(C)C1C
InChIInChI=1S/C14H21FN2O2S2/c1-10-11(2)20-7-6-17(10)21(18,19)14-8-13(15)5-4-12(14)9-16-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3
InChIKeyDEEJXHSOFLOETC-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine (CID 102921065) is 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)cc1S(=O)(=O)N1CCSC(C)C1C.
What is the InChIKey of 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is DEEJXHSOFLOETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S2/c1-10-11(2)20-7-6-17(10)21(18,19)14-8-13(15)5-4-12(14)9-16-3/h4-5,8,10-11,16H,6-7,9H2,1-3H3.
What are the key properties of 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine?
1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 332.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 102921065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).