3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol

C15H19NOS — CID 79228477

IUPAC3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
SMILESOC1(C2CC2)CN(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C15H19NOS/c17-15(12-5-6-12)9-16(10-15)8-13-7-11-3-1-2-4-14(11)18-13/h1-4,12-13,17H,5-10H2
InChIKeyRRQJGCRUUJMORC-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.16
Rot. Bonds3

About 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol

3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol (PubChem CID 79228477) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
PubChem CID79228477
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol
SMILESOC1(C2CC2)CN(CC2Cc3ccccc3S2)C1
InChIInChI=1S/C15H19NOS/c17-15(12-5-6-12)9-16(10-15)8-13-7-11-3-1-2-4-14(11)18-13/h1-4,12-13,17H,5-10H2
InChIKeyRRQJGCRUUJMORC-UHFFFAOYSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2,2,6,6-tetramethylmorpholine
CID 102745315
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-cyclopentyl-4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperazine
CID 79311786
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3-dimethylpiperazine
CID 79224349
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 79315166
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,4-thiazepane
CID 79315028
2-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpiperazine
CID 79206754
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-ethylpiperidine-4-carboxylic acid
CID 79228800
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 79227605
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79943759

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol?
The IUPAC name of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol (CID 79228477) is 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol.
What is the SMILES notation for 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol?
The canonical SMILES for 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol is OC1(C2CC2)CN(CC2Cc3ccccc3S2)C1.
What is the InChIKey of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol?
The InChIKey is RRQJGCRUUJMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-15(12-5-6-12)9-16(10-15)8-13-7-11-3-1-2-4-14(11)18-13/h1-4,12-13,17H,5-10H2.
What are the key properties of 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol?
3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol has a molecular weight of 261.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azetidin-3-ol is sourced from PubChem (CID 79228477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).