[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol

C13H15NO2S — CID 115248843

IUPAC[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2csc3ccccc23)COC1
InChIInChI=1S/C13H15NO2S/c15-7-13(8-16-9-13)6-14-11-5-17-12-4-2-1-3-10(11)12/h1-5,14-15H,6-9H2
InChIKeySFVNHPCDUZVWQV-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.32
Rot. Bonds4

About [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol

[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol (PubChem CID 115248843) has the molecular formula C13H15NO2S and a molecular weight of 249.33 g/mol. Its IUPAC name is [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol
PubChem CID115248843
Molecular FormulaC13H15NO2S
Molecular Weight249.33 g/mol
Exact Mass249.08
IUPAC Name[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol
SMILESOCC1(CNc2csc3ccccc23)COC1
InChIInChI=1S/C13H15NO2S/c15-7-13(8-16-9-13)6-14-11-5-17-12-4-2-1-3-10(11)12/h1-5,14-15H,6-9H2
InChIKeySFVNHPCDUZVWQV-UHFFFAOYSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(bromomethyl)-1-benzothiophen-3-amine
CID 115261633
3-(1-benzothiophen-3-ylamino)propane-1,2-diol
CID 115121939
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
4-(1-benzothiophen-3-ylamino)-3,3-dimethylbutanoic acid
CID 115220236
[3-[[[2-(difluoromethyl)quinazolin-4-yl]amino]methyl]oxetan-3-yl]methanol
CID 133398979
[3-[(thieno[3,2-b]pyridin-7-ylamino)methyl]oxetan-3-yl]methanol
CID 133399177
[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248804
[3-[(2-methoxy-4,5-dimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248783
3-(1-benzothiophen-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163961
N-[(E)-3-chloroprop-2-enyl]-1-benzothiophen-3-amine
CID 131233393
3-[3-(1-benzothiophen-3-yl)oxetan-3-yl]propanoic acid
CID 116871968
5-(1-benzothiophen-3-ylamino)-4-hydroxypentanoic acid
CID 115122593

Frequently Asked Questions

What is the IUPAC name of [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol (CID 115248843) is [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol is OCC1(CNc2csc3ccccc23)COC1.
What is the InChIKey of [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is SFVNHPCDUZVWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c15-7-13(8-16-9-13)6-14-11-5-17-12-4-2-1-3-10(11)12/h1-5,14-15H,6-9H2.
What are the key properties of [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol?
[3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 249.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-benzothiophen-3-ylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115248843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).