5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol

C15H22N2OS — CID 107317019

IUPAC5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1csc2ccccc12
InChIInChI=1S/C15H22N2OS/c16-10-14(17-8-4-1-5-9-18)13-11-19-15-7-3-2-6-12(13)15/h2-3,6-7,11,14,17-18H,1,4-5,8-10,16H2
InChIKeyIZWOIZQLCDQTOO-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.65
Rot. Bonds8

About 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol (PubChem CID 107317019) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
PubChem CID107317019
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
SMILESNCC(NCCCCCO)c1csc2ccccc12
InChIInChI=1S/C15H22N2OS/c16-10-14(17-8-4-1-5-9-18)13-11-19-15-7-3-2-6-12(13)15/h2-3,6-7,11,14,17-18H,1,4-5,8-10,16H2
InChIKeyIZWOIZQLCDQTOO-UHFFFAOYSA-N
XLogP2.65
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
1-(1-benzothiophen-3-yl)-N-but-2-ynylethane-1,2-diamine
CID 113464571
3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
CID 83176448
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65377930
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol
CID 107316874
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
5-[[2-amino-1-(4-bromothiophen-2-yl)ethyl]amino]pentan-1-ol
CID 107317095
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol (CID 107317019) is 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol is NCC(NCCCCCO)c1csc2ccccc12.
What is the InChIKey of 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol?
The InChIKey is IZWOIZQLCDQTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c16-10-14(17-8-4-1-5-9-18)13-11-19-15-7-3-2-6-12(13)15/h2-3,6-7,11,14,17-18H,1,4-5,8-10,16H2.
What are the key properties of 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol has a molecular weight of 278.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107317019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).