[1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine

C10H19FN2O2S — CID 115046719

IUPAC[1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine
SMILESNCC1(F)CCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19FN2O2S/c11-10(7-12)3-4-13(8-10)9-1-5-16(14,15)6-2-9/h9H,1-8,12H2
InChIKeyMNPOEMSSGPGFLZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP-0.06
Rot. Bonds2

About [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine

[1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine (PubChem CID 115046719) has the molecular formula C10H19FN2O2S and a molecular weight of 250.34 g/mol. Its IUPAC name is [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine
PubChem CID115046719
Molecular FormulaC10H19FN2O2S
Molecular Weight250.34 g/mol
Exact Mass250.12
IUPAC Name[1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine
SMILESNCC1(F)CCN(C2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C10H19FN2O2S/c11-10(7-12)3-4-13(8-10)9-1-5-16(14,15)6-2-9/h9H,1-8,12H2
InChIKeyMNPOEMSSGPGFLZ-UHFFFAOYSA-N
XLogP-0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine 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)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43780192
1-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54981437
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]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61058873
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 63923614
N-(1,1-dioxothiolan-3-yl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64852772
N-[(1,1-dioxothiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81039060
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 105497860
N-[(4-fluoropiperidin-4-yl)methyl]-1,1-dioxothiolan-3-amine
CID 105509017
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 105509019
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothian-3-amine
CID 105509021

Frequently Asked Questions

What is the IUPAC name of [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine (CID 115046719) is [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine is NCC1(F)CCN(C2CCS(=O)(=O)CC2)C1.
What is the InChIKey of [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine?
The InChIKey is MNPOEMSSGPGFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2S/c11-10(7-12)3-4-13(8-10)9-1-5-16(14,15)6-2-9/h9H,1-8,12H2.
What are the key properties of [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine?
[1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine has a molecular weight of 250.34 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,1-dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115046719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).