N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine

C10H19FN2S — CID 105473227

IUPACN-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
SMILESFC1(CNC2CCSCC2)CCNC1
InChIInChI=1S/C10H19FN2S/c11-10(3-4-12-7-10)8-13-9-1-5-14-6-2-9/h9,12-13H,1-8H2
InChIKeyKDKFOEDTXAUWOP-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.17
Rot. Bonds3

About N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine

N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine (PubChem CID 105473227) has the molecular formula C10H19FN2S and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
PubChem CID105473227
Molecular FormulaC10H19FN2S
Molecular Weight218.34 g/mol
Exact Mass218.13
IUPAC NameN-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine
SMILESFC1(CNC2CCSCC2)CCNC1
InChIInChI=1S/C10H19FN2S/c11-10(3-4-12-7-10)8-13-9-1-5-14-6-2-9/h9,12-13H,1-8H2
InChIKeyKDKFOEDTXAUWOP-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 52
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
1-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 54981437
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 62870916
4,4-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 79948098
2-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 79957129
5,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-3-amine
CID 79959117
N-[(2-methylthiolan-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 80722722
N-(3-fluoropropyl)thian-3-amine
CID 104176497
N-[(3-fluoropyrrolidin-3-yl)methyl]thiolan-3-amine
CID 105456753
N-[(4-fluoropiperidin-4-yl)methyl]thiolan-3-amine
CID 105473222
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-3-amine
CID 105473224
N-[(3-fluoropiperidin-3-yl)methyl]thiolan-2-amine
CID 105473225

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine?
The IUPAC name of N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine (CID 105473227) is N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine.
What is the SMILES notation for N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine?
The canonical SMILES for N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine is FC1(CNC2CCSCC2)CCNC1.
What is the InChIKey of N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine?
The InChIKey is KDKFOEDTXAUWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2S/c11-10(3-4-12-7-10)8-13-9-1-5-14-6-2-9/h9,12-13H,1-8H2.
What are the key properties of N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine?
N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine has a molecular weight of 218.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoropyrrolidin-3-yl)methyl]thian-4-amine is sourced from PubChem (CID 105473227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).