1-(thiophen-3-ylmethyl)azetidine

C8H11NS — CID 131087701

IUPAC1-(thiophen-3-ylmethyl)azetidine
SMILESc1cc(CN2CCC2)cs1
InChIInChI=1S/C8H11NS/c1-3-9(4-1)6-8-2-5-10-7-8/h2,5,7H,1,3-4,6H2
InChIKeyZVDNBMYMMPXSFX-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.95
Rot. Bonds2

About 1-(thiophen-3-ylmethyl)azetidine

1-(thiophen-3-ylmethyl)azetidine (PubChem CID 131087701) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)azetidine.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)azetidine
PubChem CID131087701
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1-(thiophen-3-ylmethyl)azetidine
SMILESc1cc(CN2CCC2)cs1
InChIInChI=1S/C8H11NS/c1-3-9(4-1)6-8-2-5-10-7-8/h2,5,7H,1,3-4,6H2
InChIKeyZVDNBMYMMPXSFX-UHFFFAOYSA-N
XLogP1.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylthiophen-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 23961062
1-[(2-fluorophenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 56890611
1-[(5-ethylfuran-2-yl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 3343047
4-(bromomethyl)-1-(thiophen-3-ylmethyl)azepane
CID 131162358
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane
CID 5173894
1-(thiophen-3-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 74229094
4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]aniline
CID 43646271
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97370835

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)azetidine?
The IUPAC name of 1-(thiophen-3-ylmethyl)azetidine (CID 131087701) is 1-(thiophen-3-ylmethyl)azetidine.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)azetidine?
The canonical SMILES for 1-(thiophen-3-ylmethyl)azetidine is c1cc(CN2CCC2)cs1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)azetidine?
The InChIKey is ZVDNBMYMMPXSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-9(4-1)6-8-2-5-10-7-8/h2,5,7H,1,3-4,6H2.
What are the key properties of 1-(thiophen-3-ylmethyl)azetidine?
1-(thiophen-3-ylmethyl)azetidine has a molecular weight of 153.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)azetidine is sourced from PubChem (CID 131087701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).