N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine

C13H18FNOS — CID 75408179

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine
SMILESCN(Cc1ccccc1F)C1CCS(=O)CC1
InChIInChI=1S/C13H18FNOS/c1-15(12-6-8-17(16)9-7-12)10-11-4-2-3-5-13(11)14/h2-5,12H,6-10H2,1H3
InChIKeyDLVBKMWMCFCXIE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.17
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine

N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine (PubChem CID 75408179) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine
PubChem CID75408179
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine
SMILESCN(Cc1ccccc1F)C1CCS(=O)CC1
InChIInChI=1S/C13H18FNOS/c1-15(12-6-8-17(16)9-7-12)10-11-4-2-3-5-13(11)14/h2-5,12H,6-10H2,1H3
InChIKeyDLVBKMWMCFCXIE-UHFFFAOYSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 785812
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Esproquin Hydrochloride
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4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
4-[3-(Trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3325305
4-(3,4-Difluorobenzyl)thiomorpholine
CID 792677
4-(4-Fluorobenzyl)-1lambda~6~,4-thiazinane-1,1-dione
CID 2767991
2-(4-Fluorophenyl)-3-methyl-1,3-thiazolidine
CID 3024550
2-(3-(Ethylsulfinyl)propyl)-1,2,3,4-tetrahydroisoquinoline
CID 31951
3-[Benzyl(dimethyl)ammonio]propane-1-sulfonate
CID 4386830

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine (CID 75408179) is N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine is CN(Cc1ccccc1F)C1CCS(=O)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine?
The InChIKey is DLVBKMWMCFCXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-15(12-6-8-17(16)9-7-12)10-11-4-2-3-5-13(11)14/h2-5,12H,6-10H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine?
N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine has a molecular weight of 255.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-1-oxothian-4-amine is sourced from PubChem (CID 75408179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).