N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine

C11H17NOS2 — CID 79963028

IUPACN-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine
SMILESCNC(c1csc(C)c1)C1CSCCO1
InChIInChI=1S/C11H17NOS2/c1-8-5-9(6-15-8)11(12-2)10-7-14-4-3-13-10/h5-6,10-12H,3-4,7H2,1-2H3
InChIKeyGGHDIKIUEBYLLQ-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.45
Rot. Bonds3

About N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine

N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine (PubChem CID 79963028) has the molecular formula C11H17NOS2 and a molecular weight of 243.40 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine
PubChem CID79963028
Molecular FormulaC11H17NOS2
Molecular Weight243.40 g/mol
Exact Mass243.08
IUPAC NameN-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine
SMILESCNC(c1csc(C)c1)C1CSCCO1
InChIInChI=1S/C11H17NOS2/c1-8-5-9(6-15-8)11(12-2)10-7-14-4-3-13-10/h5-6,10-12H,3-4,7H2,1-2H3
InChIKeyGGHDIKIUEBYLLQ-UHFFFAOYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 79963935
N-methyl-1-(5-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991165
N-methyl-1-(3-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991316
N-methyl-1-(1,4-oxathian-2-yl)-1-quinolin-7-ylmethanamine
CID 81231155
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
1-(1-benzofuran-2-yl)-N-methyl-1-(1,4-oxathian-2-yl)methanamine
CID 114730013
3-[methylamino(1,4-oxathian-2-yl)methyl]pyridin-2-amine
CID 79962941
[(4-methylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249537
[(3,4-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]hydrazine
CID 105249716
N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-3-yl)methanamine
CID 107189272
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 79962439

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine (CID 79963028) is N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine is CNC(c1csc(C)c1)C1CSCCO1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine?
The InChIKey is GGHDIKIUEBYLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS2/c1-8-5-9(6-15-8)11(12-2)10-7-14-4-3-13-10/h5-6,10-12H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine?
N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine has a molecular weight of 243.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-3-yl)-1-(1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 79963028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).