N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine

C8H15F2NO2S — CID 102869249

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCC(NCC1CCS(=O)(=O)C1)C(F)F
InChIInChI=1S/C8H15F2NO2S/c1-6(8(9)10)11-4-7-2-3-14(12,13)5-7/h6-8,11H,2-5H2,1H3
InChIKeyPNOMDXPBWKYKLA-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.66
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine (PubChem CID 102869249) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine
PubChem CID102869249
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCC(NCC1CCS(=O)(=O)C1)C(F)F
InChIInChI=1S/C8H15F2NO2S/c1-6(8(9)10)11-4-7-2-3-14(12,13)5-7/h6-8,11H,2-5H2,1H3
InChIKeyPNOMDXPBWKYKLA-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-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

3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
N-Methyl-4-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]butan-1-amine
CID 86696847
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide
CID 3113026
3-Methanesulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
N-[3-(3,3,3-trifluoropropylsulfonyl)propyl]butan-2-amine
CID 151107941
3-[(2,2,2-Trifluoroethyl)amino]thiolane-1,1-dione
CID 24700035
3-N-(1,1-dioxothiolan-3-yl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 43753191
3-[(2,2-Difluoroethyl)amino]-1lambda~6~-thiolane-1,1-dione
CID 45158531
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 54927211
1,1-dioxo-N-(3,3,3-trifluoropropyl)thiolan-3-amine
CID 60683351
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 60856956
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 61057655

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine (CID 102869249) is N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine is CC(NCC1CCS(=O)(=O)C1)C(F)F.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine?
The InChIKey is PNOMDXPBWKYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-6(8(9)10)11-4-7-2-3-14(12,13)5-7/h6-8,11H,2-5H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine has a molecular weight of 227.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102869249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).