N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine

C12H20N2S2 — CID 107556945

IUPACN-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(CN2CCSCC2C)s1
InChIInChI=1S/C12H20N2S2/c1-10-9-15-6-5-14(10)8-12-4-3-11(16-12)7-13-2/h3-4,10,13H,5-9H2,1-2H3
InChIKeyUASXPEBJKPAVRK-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.40
Rot. Bonds4

About N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine

N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 107556945) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine
PubChem CID107556945
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC NameN-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(CN2CCSCC2C)s1
InChIInChI=1S/C12H20N2S2/c1-10-9-15-6-5-14(10)8-12-4-3-11(16-12)7-13-2/h3-4,10,13H,5-9H2,1-2H3
InChIKeyUASXPEBJKPAVRK-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3,5-dimethylpiperidin-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107555653
4-[(5-bromothiophen-2-yl)methyl]-5-methyl-1,4-thiazepane
CID 130964381
[5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765812
N-[[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556963
1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556015
3-methyl-4-(1,3-thiazol-5-ylmethyl)thiomorpholine
CID 130719595
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556582
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557064
N-[[5-methyl-4-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methyl]propan-1-amine
CID 80728816
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107556696
[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
CID 107556962

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine (CID 107556945) is N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine is CNCc1ccc(CN2CCSCC2C)s1.
What is the InChIKey of N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is UASXPEBJKPAVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-10-9-15-6-5-14(10)8-12-4-3-11(16-12)7-13-2/h3-4,10,13H,5-9H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 256.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107556945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).