1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine

C10H19FN2S — CID 126845982

IUPAC1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2(F)CCSC2)CC1
InChIInChI=1S/C10H19FN2S/c11-10(3-6-14-8-10)7-13-4-1-9(12)2-5-13/h9H,1-8,12H2
InChIKeyMTXITANNZWRGQM-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.25
Rot. Bonds2

About 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine

1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine (PubChem CID 126845982) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine
PubChem CID126845982
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC Name1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2(F)CCSC2)CC1
InChIInChI=1S/C10H19FN2S/c11-10(3-6-14-8-10)7-13-4-1-9(12)2-5-13/h9H,1-8,12H2
InChIKeyMTXITANNZWRGQM-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-(thiolan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80584187
N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80722722
N-(thiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 103780268
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-3-amine
CID 105473222
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-2-amine
CID 105473223
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine
CID 105473225
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-3-amine
CID 105473226
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
CID 105473227
2-(Thiolan-3-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 107132585

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine (CID 126845982) is 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine is NC1CCN(CC2(F)CCSC2)CC1.
What is the InChIKey of 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine?
The InChIKey is MTXITANNZWRGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(3-6-14-8-10)7-13-4-1-9(12)2-5-13/h9H,1-8,12H2.
What are the key properties of 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine?
1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-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 1-[(3-fluorothiolan-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 126845982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).