3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol

C14H21NOS — CID 168763964

IUPAC3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol
SMILESCCC(O)(c1ccc2c(c1)CCS2)C(C)NC
InChIInChI=1S/C14H21NOS/c1-4-14(16,10(2)15-3)12-5-6-13-11(9-12)7-8-17-13/h5-6,9-10,15-16H,4,7-8H2,1-3H3
InChIKeyJYPAHIVYGTUGAO-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.54
Rot. Bonds4

About 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol

3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol (PubChem CID 168763964) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol
PubChem CID168763964
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol
SMILESCCC(O)(c1ccc2c(c1)CCS2)C(C)NC
InChIInChI=1S/C14H21NOS/c1-4-14(16,10(2)15-3)12-5-6-13-11(9-12)7-8-17-13/h5-6,9-10,15-16H,4,7-8H2,1-3H3
InChIKeyJYPAHIVYGTUGAO-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-5-yl)-3-(methylamino)butane-1,2-diol
CID 168764012
2-(2,3-dihydro-1-benzothiophen-5-yl)-2-fluoro-3-(methylamino)butan-1-ol
CID 168764005
3-(2,3-dihydro-1-benzothiophen-5-yl)-3,4,4,4-tetrafluoro-N-methylbutan-2-amine
CID 168763853
3-(2,3-dihydro-1-benzothiophen-5-yl)-N-methylbutan-2-amine
CID 168764108
(2S)-2-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)acetic acid
CID 70567084
2,3-dihydro-1-benzothiophen-5-ol
CID 11367101
1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
CID 116948767
3-chloro-2-(2,3-dihydro-1-benzothiophen-5-yl)-N-methylpropan-1-amine
CID 168764149
3-(2,3-dihydro-1-benzothiophen-6-yl)-N-methylbut-3-en-2-amine
CID 168764205
1-(3,4-dihydro-2H-thiochromen-6-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961411
2-(2,3-dihydro-1-benzothiophen-5-yl)-N-ethylethanamine
CID 168764165
3-(2,3-dihydro-1-benzothiophen-6-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 168764150

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol (CID 168763964) is 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol is CCC(O)(c1ccc2c(c1)CCS2)C(C)NC.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol?
The InChIKey is JYPAHIVYGTUGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-4-14(16,10(2)15-3)12-5-6-13-11(9-12)7-8-17-13/h5-6,9-10,15-16H,4,7-8H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol?
3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol has a molecular weight of 251.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-5-yl)-2-(methylamino)pentan-3-ol is sourced from PubChem (CID 168763964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).