N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine

C14H26N2O2S2 — CID 81005062

IUPACN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)C1CSCCN1C1CCC1CNC1CC1
InChIInChI=1S/C14H26N2O2S2/c1-2-20(17,18)14-10-19-8-7-16(14)13-6-3-11(13)9-15-12-4-5-12/h11-15H,2-10H2,1H3
InChIKeyUEVSMUZNUUYWCY-UHFFFAOYSA-N
MW318.51 g/mol
LogP1.33
Rot. Bonds6

About N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine

N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine (PubChem CID 81005062) has the molecular formula C14H26N2O2S2 and a molecular weight of 318.51 g/mol. Its IUPAC name is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine
PubChem CID81005062
Molecular FormulaC14H26N2O2S2
Molecular Weight318.51 g/mol
Exact Mass318.14
IUPAC NameN-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine
SMILESCCS(=O)(=O)C1CSCCN1C1CCC1CNC1CC1
InChIInChI=1S/C14H26N2O2S2/c1-2-20(17,18)14-10-19-8-7-16(14)13-6-3-11(13)9-15-12-4-5-12/h11-15H,2-10H2,1H3
InChIKeyUEVSMUZNUUYWCY-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[(1r,3r)-3-Aminocyclobutyl]methyl}-1lambda6-thiomorpholine-1,1-dione
CID 67216215
3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine
CID 54976635
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)pentyl]cyclopropanamine
CID 55074621
N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 55220493
N-[[1-(2-ethylsulfonylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 55259120
N,3-dimethyl-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 61557999
N-ethyl-3-methyl-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 61558000
N-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentyl]cyclopropanamine
CID 62257185
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62433253
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropyl]cyclopropanamine
CID 62433804
1-cyclopropyl-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]ethanamine
CID 62561173
N-[[1-(2-methylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 62582049

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine (CID 81005062) is N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine is CCS(=O)(=O)C1CSCCN1C1CCC1CNC1CC1.
What is the InChIKey of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine?
The InChIKey is UEVSMUZNUUYWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S2/c1-2-20(17,18)14-10-19-8-7-16(14)13-6-3-11(13)9-15-12-4-5-12/h11-15H,2-10H2,1H3.
What are the key properties of N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine?
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine has a molecular weight of 318.51 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]cyclopropanamine is sourced from PubChem (CID 81005062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).