(1,1-dioxothian-4-yl)-fluoromethanamine

C6H12FNO2S — CID 105439422

IUPAC(1,1-dioxothian-4-yl)-fluoromethanamine
SMILESNC(F)C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H12FNO2S/c7-6(8)5-1-3-11(9,10)4-2-5/h5-6H,1-4,8H2
InChIKeyUMOMMRDVSBORRL-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.07
Rot. Bonds1

About (1,1-dioxothian-4-yl)-fluoromethanamine

(1,1-dioxothian-4-yl)-fluoromethanamine (PubChem CID 105439422) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is (1,1-dioxothian-4-yl)-fluoromethanamine.

Molecular Properties

Compound Name(1,1-dioxothian-4-yl)-fluoromethanamine
PubChem CID105439422
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name(1,1-dioxothian-4-yl)-fluoromethanamine
SMILESNC(F)C1CCS(=O)(=O)CC1
InChIInChI=1S/C6H12FNO2S/c7-6(8)5-1-3-11(9,10)4-2-5/h5-6H,1-4,8H2
InChIKeyUMOMMRDVSBORRL-UHFFFAOYSA-N
XLogP0.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(1,1-dioxothian-4-yl)ethanethiol
CID 117238984
2-(1,1-dioxothian-4-yl)-2-fluoroacetonitrile
CID 115018499
1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427
1-(1,1-dioxothian-4-yl)butan-1-amine
CID 83048118
O-[1-(1,1-dioxothiolan-3-yl)ethyl]hydroxylamine
CID 117104622
O-[2-(1,1-dioxothiolan-3-yl)-2-fluoroethyl]hydroxylamine
CID 115020988
3-(1,1-dioxothiolan-3-yl)-4,4-difluorobutan-1-amine
CID 115036098
4-butan-2-ylthiane 1,1-dioxide
CID 123360092
1-hydrazinylidene-1-oxo-4-propan-2-ylthiane
CID 138494031
1-(1,1-dioxothiolan-3-yl)-2-methylprop-2-en-1-amine
CID 115336612
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
4-(1-nitroethyl)thiane 1,1-dioxide
CID 105460330

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-4-yl)-fluoromethanamine?
The IUPAC name of (1,1-dioxothian-4-yl)-fluoromethanamine (CID 105439422) is (1,1-dioxothian-4-yl)-fluoromethanamine.
What is the SMILES notation for (1,1-dioxothian-4-yl)-fluoromethanamine?
The canonical SMILES for (1,1-dioxothian-4-yl)-fluoromethanamine is NC(F)C1CCS(=O)(=O)CC1.
What is the InChIKey of (1,1-dioxothian-4-yl)-fluoromethanamine?
The InChIKey is UMOMMRDVSBORRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-6(8)5-1-3-11(9,10)4-2-5/h5-6H,1-4,8H2.
What are the key properties of (1,1-dioxothian-4-yl)-fluoromethanamine?
(1,1-dioxothian-4-yl)-fluoromethanamine has a molecular weight of 181.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-4-yl)-fluoromethanamine is sourced from PubChem (CID 105439422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).