N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine

C7H14FNO2S — CID 81105550

IUPACN-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCCF)C1
InChIInChI=1S/C7H14FNO2S/c8-3-1-4-9-7-2-5-12(10,11)6-7/h7,9H,1-6H2
InChIKeyOFHDWJCQZAJUMX-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.12
Rot. Bonds4

About N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine

N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine (PubChem CID 81105550) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
PubChem CID81105550
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC NameN-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCCF)C1
InChIInChI=1S/C7H14FNO2S/c8-3-1-4-9-7-2-5-12(10,11)6-7/h7,9H,1-6H2
InChIKeyOFHDWJCQZAJUMX-UHFFFAOYSA-N
XLogP0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-fluoropropyl)-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'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
1,1-dioxo-N-[3-(2,2,2-trifluoroethoxy)propyl]thiolan-3-amine
CID 54962383
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
3-[2-[(1,1-dioxothiolan-3-yl)amino]ethylsulfanyl]propan-1-ol
CID 104868554
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
N-nonyl-1,1-dioxothian-3-amine
CID 63923728

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine?
The IUPAC name of N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine (CID 81105550) is N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCCCF)C1.
What is the InChIKey of N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine?
The InChIKey is OFHDWJCQZAJUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-3-1-4-9-7-2-5-12(10,11)6-7/h7,9H,1-6H2.
What are the key properties of N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine?
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine has a molecular weight of 195.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 81105550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).