3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine

C10H19FN2S — CID 115030968

IUPAC3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
SMILESNC1(CF)CCN(C2CCSCC2)C1
InChIInChI=1S/C10H19FN2S/c11-7-10(12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyKKRANMAIEPCMKW-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.25
Rot. Bonds2

About 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine

3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine (PubChem CID 115030968) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
PubChem CID115030968
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
SMILESNC1(CF)CCN(C2CCSCC2)C1
InChIInChI=1S/C10H19FN2S/c11-7-10(12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2
InChIKeyKKRANMAIEPCMKW-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

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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
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-3-amine
CID 105473226
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
CID 105473227
[3-Fluoro-1-(thian-4-yl)pyrrolidin-3-yl]methanamine
CID 115030969
3-(Difluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine
CID 115041651
1-(1,1-Dioxothian-4-yl)-3-(fluoromethyl)pyrrolidin-3-amine
CID 115046718
1-[(3-Fluorothiolan-3-yl)methyl]piperidin-4-amine
CID 126845982
(R)-1-(tetrahydro-2H-thiopyran-4-yl)pyrrolidin-3-amine
CID 94339867
N-(3-methyl-2-pyrrolidin-1-ylbutyl)thian-4-amine
CID 43428248
1-[3-(aminomethyl)thiolan-3-yl]-N,N-dimethylpiperidin-4-amine
CID 43585857
N-[3-(aminomethyl)thiolan-3-yl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004651

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine?
The IUPAC name of 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine (CID 115030968) is 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine is NC1(CF)CCN(C2CCSCC2)C1.
What is the InChIKey of 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine?
The InChIKey is KKRANMAIEPCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-7-10(12)3-4-13(8-10)9-1-5-14-6-2-9/h9H,1-8,12H2.
What are the key properties of 3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine?
3-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine 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-(fluoromethyl)-1-(thian-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 115030968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).