5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol

C13H21NOS — CID 62839954

IUPAC5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol
SMILESOCCCCCNC1CCCc2sccc21
InChIInChI=1S/C13H21NOS/c15-9-3-1-2-8-14-12-5-4-6-13-11(12)7-10-16-13/h7,10,12,14-15H,1-6,8-9H2
InChIKeySXNVTWKNCFPNJC-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.88
Rot. Bonds6

About 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol

5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol (PubChem CID 62839954) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol
PubChem CID62839954
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol
SMILESOCCCCCNC1CCCc2sccc21
InChIInChI=1S/C13H21NOS/c15-9-3-1-2-8-14-12-5-4-6-13-11(12)7-10-16-13/h7,10,12,14-15H,1-6,8-9H2
InChIKeySXNVTWKNCFPNJC-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 62839946
N'-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propane-1,3-diamine
CID 62842141
N',N'-dimethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butane-1,4-diamine
CID 55121812
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840199
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethylurea
CID 83109887
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]butan-1-ol
CID 106840669
N,N-dimethyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)propanamide
CID 55122297
3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]pentan-3-ol
CID 65108449
[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol
CID 81343397
1-[4-[[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]butyl]pyridin-2-one
CID 97230970
N-(2-thiomorpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 103783260

Frequently Asked Questions

What is the IUPAC name of 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol?
The IUPAC name of 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol (CID 62839954) is 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol?
The canonical SMILES for 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol is OCCCCCNC1CCCc2sccc21.
What is the InChIKey of 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol?
The InChIKey is SXNVTWKNCFPNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c15-9-3-1-2-8-14-12-5-4-6-13-11(12)7-10-16-13/h7,10,12,14-15H,1-6,8-9H2.
What are the key properties of 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol?
5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol has a molecular weight of 239.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol is sourced from PubChem (CID 62839954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).