N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

C15H22FNO2S — CID 129264265

IUPACN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC(C)c1cc(F)cc(CN(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H22FNO2S/c1-11(2)13-6-12(7-14(16)8-13)9-17(3)15-4-5-20(18,19)10-15/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyIOFXAOSNQLUZGP-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.57
Rot. Bonds4

About N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 129264265) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID129264265
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC NameN-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCC(C)c1cc(F)cc(CN(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C15H22FNO2S/c1-11(2)13-6-12(7-14(16)8-13)9-17(3)15-4-5-20(18,19)10-15/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyIOFXAOSNQLUZGP-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-fluorophenyl)but-3-enyl]-N-(2-methylpropyl)ethenesulfonamide
CID 53315613
(4aR*,7aS*)-1-(cyclopropylmethyl)-4-(4-fluoro-3-methylbenzyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70716525
7-fluoro-1-methyl-2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-isoquinoline
CID 71977183
N-[2-(3-fluorophenyl)ethyl]-N-(3-methylsulfonylpropyl)cyclopropanamine
CID 72014628
7-fluoro-1-methyl-2-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-1H-isoquinoline
CID 84586883
N-[(1,1-dioxothian-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 84596001
1-Benzyl-4-(trifluoromethyl)-3-methanesulfonylpyrrolidine
CID 129876881
N,N-dimethyl-2-methylsulfonyl-1-phenylethanamine
CID 11401905
3-{[(2-Fluorophenyl)methyl]amino}thiolane-1,1-dione
CID 4788873
(3S)-N,N,2,2-tetramethyl-1,1-dioxo-3-phenylthietan-3-amine
CID 42563839
1-(4-fluorophenyl)-N-[2-[2-[1-(4-fluorophenyl)ethyl-methylamino]ethylsulfonyl]ethyl]-N-methylethanamine
CID 47082250
N-benzyl-N-[(2-fluorophenyl)methyl]-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 53512796

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 129264265) is N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is CC(C)c1cc(F)cc(CN(C)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is IOFXAOSNQLUZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-11(2)13-6-12(7-14(16)8-13)9-17(3)15-4-5-20(18,19)10-15/h6-8,11,15H,4-5,9-10H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 299.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 129264265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).