N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

C13H24N2OS — CID 62262140

IUPACN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESC1CC(CNC2CC2)(CN2CCSCC2)CO1
InChIInChI=1S/C13H24N2OS/c1-2-12(1)14-9-13(3-6-16-11-13)10-15-4-7-17-8-5-15/h12,14H,1-11H2
InChIKeyWSPFOSPSMOEYRJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.19
Rot. Bonds5

About N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine

N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62262140) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62262140
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
SMILESC1CC(CNC2CC2)(CN2CCSCC2)CO1
InChIInChI=1S/C13H24N2OS/c1-2-12(1)14-9-13(3-6-16-11-13)10-15-4-7-17-8-5-15/h12,14H,1-11H2
InChIKeyWSPFOSPSMOEYRJ-UHFFFAOYSA-N
XLogP1.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 63159777
[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
CID 62263069
N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62931491
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
N-[[3-[(3-ethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62256133
4-[[4-(bromomethyl)oxan-4-yl]methyl]thiomorpholine
CID 65004698
2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
CID 62391797
N-[[3-[(3-propoxypiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62272445
1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
CID 106674069
N-[[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 79184590
N-[[3-(trimethylsilylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 106323583
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 55061618

Frequently Asked Questions

What is the IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine (CID 62262140) is N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is C1CC(CNC2CC2)(CN2CCSCC2)CO1.
What is the InChIKey of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is WSPFOSPSMOEYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-2-12(1)14-9-13(3-6-16-11-13)10-15-4-7-17-8-5-15/h12,14H,1-11H2.
What are the key properties of N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 256.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62262140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).