N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

C15H22FN3S — CID 105390461

IUPACN-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1SCCN(c2nccc(CNC3CC3)c2F)C1C
InChIInChI=1S/C15H22FN3S/c1-10-11(2)20-8-7-19(10)15-14(16)12(5-6-17-15)9-18-13-3-4-13/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3
InChIKeySBRGEWIGWVBSTE-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.80
Rot. Bonds4

About N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105390461) has the molecular formula C15H22FN3S and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105390461
Molecular FormulaC15H22FN3S
Molecular Weight295.43 g/mol
Exact Mass295.15
IUPAC NameN-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1SCCN(c2nccc(CNC3CC3)c2F)C1C
InChIInChI=1S/C15H22FN3S/c1-10-11(2)20-8-7-19(10)15-14(16)12(5-6-17-15)9-18-13-3-4-13/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3
InChIKeySBRGEWIGWVBSTE-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105389678
N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105388892
N-[[2-(3-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105390394
1-[4-[(cyclopropylamino)methyl]-3-fluoro-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 105389831
N-[[3-fluoro-2-(3-methoxypiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 102967859
N-[[2-(2,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388688
4-(3-bromo-4-methyl-2-pyridinyl)-2,3-dimethylthiomorpholine
CID 106877510
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
N-[[3-fluoro-2-(2-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105389986
4-[(cyclopropylamino)methyl]-3-fluoro-N-propylpyridin-2-amine
CID 105390346
N-[(3-fluoro-2-methyl-4-pyridinyl)methyl]piperidin-4-amine
CID 171815594
N-[[2-(2-ethylpyrrolidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105388708

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (CID 105390461) is N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is CC1SCCN(c2nccc(CNC3CC3)c2F)C1C.
What is the InChIKey of N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is SBRGEWIGWVBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3S/c1-10-11(2)20-8-7-19(10)15-14(16)12(5-6-17-15)9-18-13-3-4-13/h5-6,10-11,13,18H,3-4,7-9H2,1-2H3.
What are the key properties of N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 295.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dimethylthiomorpholin-4-yl)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105390461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).