4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium

C10H16NOS+ — CID 6943004

IUPAC4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium
SMILESCc1ccsc1C[NH+]1CCOCC1
InChIInChI=1S/C10H15NOS/c1-9-2-7-13-10(9)8-11-3-5-12-6-4-11/h2,7H,3-6,8H2,1H3/p+1
InChIKeyRUVLGSHKRVSEAA-UHFFFAOYSA-O
MW198.31 g/mol
LogP0.47
Rot. Bonds2

About 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium

4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium (PubChem CID 6943004) has the molecular formula C10H16NOS+ and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium
PubChem CID6943004
Molecular FormulaC10H16NOS+
Molecular Weight198.31 g/mol
Exact Mass198.09
IUPAC Name4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium
SMILESCc1ccsc1C[NH+]1CCOCC1
InChIInChI=1S/C10H15NOS/c1-9-2-7-13-10(9)8-11-3-5-12-6-4-11/h2,7H,3-6,8H2,1H3/p+1
InChIKeyRUVLGSHKRVSEAA-UHFFFAOYSA-O
XLogP0.47
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine
CID 6936919
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-4-ium
CID 7003843
1-(2-methoxyphenyl)-4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium
CID 6944083
N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
CID 115897898
[(3S)-3-methylpiperidin-1-yl]-[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]methanone
CID 7471884
(E)-3-(3-methylthiophen-2-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481514
2-(bromomethyl)-3-methylthiophene
CID 18463526
CID 172777676
CID 172777676
N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724746
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenol;chloride;hydrate
CID 43833384
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium?
The IUPAC name of 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium (CID 6943004) is 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium?
The canonical SMILES for 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium is Cc1ccsc1C[NH+]1CCOCC1.
What is the InChIKey of 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium?
The InChIKey is RUVLGSHKRVSEAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NOS/c1-9-2-7-13-10(9)8-11-3-5-12-6-4-11/h2,7H,3-6,8H2,1H3/p+1.
What are the key properties of 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium?
4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium has a molecular weight of 198.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylthiophen-2-yl)methyl]morpholin-4-ium is sourced from PubChem (CID 6943004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).