1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol

C16H23NOS — CID 114952497

IUPAC1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1Cc2ccccc2S1)CC1(O)CCCC1
InChIInChI=1S/C16H23NOS/c1-17(12-16(18)8-4-5-9-16)11-14-10-13-6-2-3-7-15(13)19-14/h2-3,6-7,14,18H,4-5,8-12H2,1H3
InChIKeyBBJNTKPTZGTSDN-UHFFFAOYSA-N
MW277.43 g/mol
LogP2.94
Rot. Bonds4

About 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol

1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol (PubChem CID 114952497) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
PubChem CID114952497
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1Cc2ccccc2S1)CC1(O)CCCC1
InChIInChI=1S/C16H23NOS/c1-17(12-16(18)8-4-5-9-16)11-14-10-13-6-2-3-7-15(13)19-14/h2-3,6-7,14,18H,4-5,8-12H2,1H3
InChIKeyBBJNTKPTZGTSDN-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol (CID 114952497) is 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol is CN(CC1Cc2ccccc2S1)CC1(O)CCCC1.
What is the InChIKey of 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is BBJNTKPTZGTSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-17(12-16(18)8-4-5-9-16)11-14-10-13-6-2-3-7-15(13)19-14/h2-3,6-7,14,18H,4-5,8-12H2,1H3.
What are the key properties of 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 277.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-dihydro-1-benzothiophen-2-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114952497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).