1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine

C7H14FNO2S — CID 105449123

IUPAC1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine
SMILESCC(N)C(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-5(9)7(8)6-2-3-12(10,11)4-6/h5-7H,2-4,9H2,1H3
InChIKeyNCOSOAYGEIGVBF-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds2

About 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine

1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine (PubChem CID 105449123) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine
PubChem CID105449123
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine
SMILESCC(N)C(F)C1CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c1-5(9)7(8)6-2-3-12(10,11)4-6/h5-7H,2-4,9H2,1H3
InChIKeyNCOSOAYGEIGVBF-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Thiophenethylamine, tetrahydro-alpha-methyl-, 1,1-dioxide, hydrochloride
CID 200358
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
1-(1,1-Dioxothiolan-3-yl)propan-2-amine
CID 200359
[3-(Fluoromethylsulfonyl)cyclopentyl]methanamine
CID 84720541
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
2-(4-Fluoro-1,1-dioxothian-3-yl)ethanamine
CID 84773582
2-(4,4-Difluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84775228
[1,1-Dioxo-4-(2,2,2-trifluoroethyl)thiolan-3-yl]methanamine
CID 84794192
1-(1,1-Dioxothiolan-3-yl)-5,5,5-trifluoropentan-2-amine
CID 105156314
1-Fluoro-1-(thiolan-3-yl)propan-2-amine
CID 105432256
3-(2-Amino-1-fluoroethyl)-1lambda6-thiolane-1,1-dione
CID 105439418
2-(3-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 105439420

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine (CID 105449123) is 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine is CC(N)C(F)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine?
The InChIKey is NCOSOAYGEIGVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c1-5(9)7(8)6-2-3-12(10,11)4-6/h5-7H,2-4,9H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine?
1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-1-fluoropropan-2-amine is sourced from PubChem (CID 105449123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).