1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine

C15H21FN2O2S — CID 118232574

IUPAC1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine
SMILESC[C@H]1CCCS(=O)(=O)N1Cc1ccc(C2(N)CC2)cc1F
InChIInChI=1S/C15H21FN2O2S/c1-11-3-2-8-21(19,20)18(11)10-12-4-5-13(9-14(12)16)15(17)6-7-15/h4-5,9,11H,2-3,6-8,10,17H2,1H3/t11-/m0/s1
InChIKeyXIUQEIRYUUJHTG-NSHDSACASA-N
MW312.41 g/mol
LogP2.09
Rot. Bonds3

About 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine

1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine (PubChem CID 118232574) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine
PubChem CID118232574
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine
SMILESC[C@H]1CCCS(=O)(=O)N1Cc1ccc(C2(N)CC2)cc1F
InChIInChI=1S/C15H21FN2O2S/c1-11-3-2-8-21(19,20)18(11)10-12-4-5-13(9-14(12)16)15(17)6-7-15/h4-5,9,11H,2-3,6-8,10,17H2,1H3/t11-/m0/s1
InChIKeyXIUQEIRYUUJHTG-NSHDSACASA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-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-[(1S)-1-[4-[(4-tert-butylpiperidin-1-yl)methyl]phenyl]-2,2,2-trifluoroethyl]methanesulfonamide
CID 71655815
N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
CID 155146424
N-[2-(2-Fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404538
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
US10233152, Example 128
CID 129279609
N-(2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl)methanesulfonamide
CID 16955705
N-{[1-(2-fluorobenzyl)piperidin-3-yl]methyl}cyclopropanesulfonamide
CID 56739718
N-[2-(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanesulfonamide
CID 56791322
1-(3-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclopropan-1-amine
CID 75443076
N-{2-[1-(2-methylbenzyl)piperidin-3-yl]ethyl}cyclopropanesulfonamide
CID 56743585
N-(1-benzylpiperidin-4-yl)ethanesulfonamide
CID 2422964
N-[(1-benzylpiperidin-4-yl)methyl]cyclopropanesulfonamide
CID 45558892

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine (CID 118232574) is 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine is C[C@H]1CCCS(=O)(=O)N1Cc1ccc(C2(N)CC2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine?
The InChIKey is XIUQEIRYUUJHTG-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-11-3-2-8-21(19,20)18(11)10-12-4-5-13(9-14(12)16)15(17)6-7-15/h4-5,9,11H,2-3,6-8,10,17H2,1H3/t11-/m0/s1.
What are the key properties of 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine?
1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine has a molecular weight of 312.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[[(3S)-3-methyl-1,1-dioxothiazinan-2-yl]methyl]phenyl]cyclopropan-1-amine is sourced from PubChem (CID 118232574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).