(3-fluoro-1,1-dioxothiolan-3-yl)methanamine

C5H10FNO2S — CID 84765190

IUPAC(3-fluoro-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1(F)CCS(=O)(=O)C1
InChIInChI=1S/C5H10FNO2S/c6-5(3-7)1-2-10(8,9)4-5/h1-4,7H2
InChIKeyHHXFYUFYYCZWOM-UHFFFAOYSA-N
MW167.20 g/mol
LogP-0.53
Rot. Bonds1

About (3-fluoro-1,1-dioxothiolan-3-yl)methanamine

(3-fluoro-1,1-dioxothiolan-3-yl)methanamine (PubChem CID 84765190) has the molecular formula C5H10FNO2S and a molecular weight of 167.20 g/mol. Its IUPAC name is (3-fluoro-1,1-dioxothiolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1,1-dioxothiolan-3-yl)methanamine
PubChem CID84765190
Molecular FormulaC5H10FNO2S
Molecular Weight167.20 g/mol
Exact Mass167.04
IUPAC Name(3-fluoro-1,1-dioxothiolan-3-yl)methanamine
SMILESNCC1(F)CCS(=O)(=O)C1
InChIInChI=1S/C5H10FNO2S/c6-5(3-7)1-2-10(8,9)4-5/h1-4,7H2
InChIKeyHHXFYUFYYCZWOM-UHFFFAOYSA-N
XLogP-0.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-1lambda6-thiolane-1,1-dione
CID 2772225
3-(Aminomethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 11286884
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295
3-(2-Fluoroethylsulfonyl)propan-1-amine
CID 58684365
2-(3-Fluoropropylsulfonyl)ethanamine
CID 58684867
3-(2-Fluoroethylsulfonyl)butan-1-amine
CID 81193572
3-Amino-4-fluoro-1lambda6-thiolane-1,1-dione
CID 83853781
(4-Fluoro-1,1-dioxothian-4-yl)methanamine
CID 84022423
2-(2-Fluoro-2-methylpropyl)sulfonylethanamine
CID 84659192
2-(3-Fluoro-3-methylbutyl)sulfonylethanamine
CID 84667802
4-(Fluoromethylsulfonyl)butan-1-amine
CID 84717333

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1,1-dioxothiolan-3-yl)methanamine?
The IUPAC name of (3-fluoro-1,1-dioxothiolan-3-yl)methanamine (CID 84765190) is (3-fluoro-1,1-dioxothiolan-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-1,1-dioxothiolan-3-yl)methanamine?
The canonical SMILES for (3-fluoro-1,1-dioxothiolan-3-yl)methanamine is NCC1(F)CCS(=O)(=O)C1.
What is the InChIKey of (3-fluoro-1,1-dioxothiolan-3-yl)methanamine?
The InChIKey is HHXFYUFYYCZWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2S/c6-5(3-7)1-2-10(8,9)4-5/h1-4,7H2.
What are the key properties of (3-fluoro-1,1-dioxothiolan-3-yl)methanamine?
(3-fluoro-1,1-dioxothiolan-3-yl)methanamine has a molecular weight of 167.20 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1,1-dioxothiolan-3-yl)methanamine is sourced from PubChem (CID 84765190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).