N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine

C9H17FN2O2S — CID 105497861

IUPACN-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine
SMILESO=S1(=O)CCCC1NCC1(F)CCNC1
InChIInChI=1S/C9H17FN2O2S/c10-9(3-4-11-6-9)7-12-8-2-1-5-15(8,13)14/h8,11-12H,1-7H2
InChIKeySCWFYUZQPLSEDF-UHFFFAOYSA-N
MW236.31 g/mol
LogP-0.19
Rot. Bonds3

About N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine

N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine (PubChem CID 105497861) has the molecular formula C9H17FN2O2S and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine
PubChem CID105497861
Molecular FormulaC9H17FN2O2S
Molecular Weight236.31 g/mol
Exact Mass236.10
IUPAC NameN-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine
SMILESO=S1(=O)CCCC1NCC1(F)CCNC1
InChIInChI=1S/C9H17FN2O2S/c10-9(3-4-11-6-9)7-12-8-2-1-5-15(8,13)14/h8,11-12H,1-7H2
InChIKeySCWFYUZQPLSEDF-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thiolan-3-amine
CID 54927211
N-[(1,1-dioxothiolan-3-yl)methyl]-3-fluoropropan-1-amine
CID 81105893
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-2-amine
CID 105456754
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 105497860
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothiolan-2-amine
CID 105509020
Pyrrolidine;thiolane 1,1-dioxide
CID 158788978
N-[(1,1-dioxothiolan-3-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961166
3-methyl-1,1-dioxo-N-(3-pyrrolidin-1-ylpropyl)thiolan-3-amine
CID 61854758
3-methyl-1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
CID 63006347
1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolane-3-sulfonamide
CID 80563167
N'-[(1,1-dioxothiolan-3-yl)methyl]propane-1,3-diamine
CID 81737659
1,1-dioxo-N-(pyrrolidin-3-ylmethyl)thiolan-3-amine
CID 84127867

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine?
The IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine (CID 105497861) is N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine.
What is the SMILES notation for N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine?
The canonical SMILES for N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine is O=S1(=O)CCCC1NCC1(F)CCNC1.
What is the InChIKey of N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine?
The InChIKey is SCWFYUZQPLSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O2S/c10-9(3-4-11-6-9)7-12-8-2-1-5-15(8,13)14/h8,11-12H,1-7H2.
What are the key properties of N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine?
N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine has a molecular weight of 236.31 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoropyrrolidin-3-yl)methyl]-1,1-dioxothiolan-2-amine is sourced from PubChem (CID 105497861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).