N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine

C14H21N3S — CID 105073996

IUPACN-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1CSCCN1c1cnccc1CNC1CC1
InChIInChI=1S/C14H21N3S/c1-11-10-18-7-6-17(11)14-9-15-5-4-12(14)8-16-13-2-3-13/h4-5,9,11,13,16H,2-3,6-8,10H2,1H3
InChIKeyCKBNJILGUBMWBQ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.28
Rot. Bonds4

About N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105073996) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105073996
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCC1CSCCN1c1cnccc1CNC1CC1
InChIInChI=1S/C14H21N3S/c1-11-10-18-7-6-17(11)14-9-15-5-4-12(14)8-16-13-2-3-13/h4-5,9,11,13,16H,2-3,6-8,10H2,1H3
InChIKeyCKBNJILGUBMWBQ-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methylsulfonylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074134
N-[[3-(2,4-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073729
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114851568
N-[[4-(2-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 81250159
N-[[3-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073298
N-[[3-(2-ethylazepan-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105074483
N-[[3-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073899
N-[[4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 102886795
N-[[3-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 105073750
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
3-methyl-4-pyrazin-2-ylthiomorpholine
CID 131155886
1-[3-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072555

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105073996) is N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine is CC1CSCCN1c1cnccc1CNC1CC1.
What is the InChIKey of N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CKBNJILGUBMWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-11-10-18-7-6-17(11)14-9-15-5-4-12(14)8-16-13-2-3-13/h4-5,9,11,13,16H,2-3,6-8,10H2,1H3.
What are the key properties of N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 263.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105073996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).