[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine

C10H19FN2S — CID 115030969

IUPAC[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(F)CCN(C2CCSCC2)C1
InChIInChI=1S/C10H19FN2S/c11-10(7-12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyQNNATCWOBAOQIY-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.25
Rot. Bonds2

About [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine

[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 115030969) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID115030969
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1(F)CCN(C2CCSCC2)C1
InChIInChI=1S/C10H19FN2S/c11-10(7-12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyQNNATCWOBAOQIY-UHFFFAOYSA-N
XLogP1.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-fluoro-1-(thian-4-yl)pyrrolidin-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-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54927241
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 62870916
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 79957129
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-3-amine
CID 105473226
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
CID 105473227
N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107166114
3-[2-[3-(Trifluoromethyl)pyrrolidin-1-yl]ethyl]thiomorpholine
CID 114271889
3-(Fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
CID 115030968
3-(Difluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
CID 115041651
[1-(1,1-Dioxothian-4-yl)-3-fluoropyrrolidin-3-yl]methanamine
CID 115046719
1-[(3-Fluorothiolan-3-yl)methyl]piperidin-4-amine
CID 126845982

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine (CID 115030969) is [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine is NCC1(F)CCN(C2CCSCC2)C1.
What is the InChIKey of [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is QNNATCWOBAOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(7-12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2.
What are the key properties of [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine?
[3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115030969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).