N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine

C10H19FN2S — CID 105473225

IUPACN-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine
SMILESFC1(CNC2CCCS2)CCCNC1
InChIInChI=1S/C10H19FN2S/c11-10(4-2-5-12-7-10)8-13-9-3-1-6-14-9/h9,12-13H,1-8H2
InChIKeyDXQSCMCKOAQDRF-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.52
Rot. Bonds3

About N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine

N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine (PubChem CID 105473225) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine.

Molecular Properties

Compound NameN-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine
PubChem CID105473225
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC NameN-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine
SMILESFC1(CNC2CCCS2)CCCNC1
InChIInChI=1S/C10H19FN2S/c11-10(4-2-5-12-7-10)8-13-9-3-1-6-14-9/h9,12-13H,1-8H2
InChIKeyDXQSCMCKOAQDRF-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(Trifluoromethyl)piperidin-2-yl]sulfanylethanamine
CID 140479016
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80722722
2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
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-fluoropyrrolidin-3-yl)methyl]thian-3-amine
CID 105473226
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
CID 105473227
N-[(3-fluoropiperidin-3-yl)methyl]-1,1-dioxothiolan-2-amine
CID 105509020
N-(thiolan-3-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 107166114

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine?
The IUPAC name of N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine (CID 105473225) is N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine.
What is the SMILES notation for N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine?
The canonical SMILES for N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine is FC1(CNC2CCCS2)CCCNC1.
What is the InChIKey of N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine?
The InChIKey is DXQSCMCKOAQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(4-2-5-12-7-10)8-13-9-3-1-6-14-9/h9,12-13H,1-8H2.
What are the key properties of N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine?
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine has a molecular weight of 218.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine is sourced from PubChem (CID 105473225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).