N-methyl-2-thiomorpholin-4-ylpropan-1-amine

C8H18N2S — CID 62419037

IUPACN-methyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCC(CNC)N1CCSCC1
InChIInChI=1S/C8H18N2S/c1-8(7-9-2)10-3-5-11-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyGUPNTZRABQFFCL-UHFFFAOYSA-N
MW174.31 g/mol
LogP0.70
Rot. Bonds3

About N-methyl-2-thiomorpholin-4-ylpropan-1-amine

N-methyl-2-thiomorpholin-4-ylpropan-1-amine (PubChem CID 62419037) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is N-methyl-2-thiomorpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-thiomorpholin-4-ylpropan-1-amine
PubChem CID62419037
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC NameN-methyl-2-thiomorpholin-4-ylpropan-1-amine
SMILESCC(CNC)N1CCSCC1
InChIInChI=1S/C8H18N2S/c1-8(7-9-2)10-3-5-11-6-4-10/h8-9H,3-7H2,1-2H3
InChIKeyGUPNTZRABQFFCL-UHFFFAOYSA-N
XLogP0.70
TPSA40.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity102

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Thiomorpholin-3-yl)methanamine
CID 13487765
2-Thiomorpholin-4-ylpropan-1-amine
CID 19106744
2,3,5,6-Tetramethylthio-morpholine
CID 57044051
1-(Tetrahydro-2H-thiopyran-4-yl)piperazine dihydrochloride
CID 54759030
1-(2-(Methylsulfanyl)ethyl)piperazine
CID 13154310
1-(tetrahydro-2H-thiopyran-4-yl)piperazine
CID 45791268
1-(2-Butylsulfanylethynyl)piperazine
CID 134920718
1-(2-Propylsulfanylethynyl)piperazine
CID 134987593
4,4,4-Trifluoro-3-thiomorpholin-4-ylbutan-2-amine
CID 61647909
1,1,1-Trifluoro-2-thiomorpholin-4-ylpentan-3-amine
CID 61647963
2-thiomorpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62558863
4,4,4-Trifluoro-3-(3-methylthiomorpholin-4-yl)butan-2-amine
CID 64040126

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiomorpholin-4-ylpropan-1-amine?
The IUPAC name of N-methyl-2-thiomorpholin-4-ylpropan-1-amine (CID 62419037) is N-methyl-2-thiomorpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-methyl-2-thiomorpholin-4-ylpropan-1-amine?
The canonical SMILES for N-methyl-2-thiomorpholin-4-ylpropan-1-amine is CC(CNC)N1CCSCC1.
What is the InChIKey of N-methyl-2-thiomorpholin-4-ylpropan-1-amine?
The InChIKey is GUPNTZRABQFFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-8(7-9-2)10-3-5-11-6-4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of N-methyl-2-thiomorpholin-4-ylpropan-1-amine?
N-methyl-2-thiomorpholin-4-ylpropan-1-amine has a molecular weight of 174.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiomorpholin-4-ylpropan-1-amine is sourced from PubChem (CID 62419037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).