3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol

C12H20ClNOS — CID 102976523

IUPAC3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C12H20ClNOS/c1-4-12(15,5-2)8-14-9(3)10-6-11(13)16-7-10/h6-7,9,14-15H,4-5,8H2,1-3H3
InChIKeyKXLGWZIBFPITAZ-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.60
Rot. Bonds6

About 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol

3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 102976523) has the molecular formula C12H20ClNOS and a molecular weight of 261.82 g/mol. Its IUPAC name is 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
PubChem CID102976523
Molecular FormulaC12H20ClNOS
Molecular Weight261.82 g/mol
Exact Mass261.10
IUPAC Name3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1csc(Cl)c1
InChIInChI=1S/C12H20ClNOS/c1-4-12(15,5-2)8-14-9(3)10-6-11(13)16-7-10/h6-7,9,14-15H,4-5,8H2,1-3H3
InChIKeyKXLGWZIBFPITAZ-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophen-3-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 102976607
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-[1-(5-chlorothiophen-3-yl)ethylamino]pentan-2-ol
CID 102976587
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 102976318
N-tert-butyl-2-[1-(5-chlorothiophen-3-yl)ethylamino]acetamide
CID 102976365
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
2-[1-(5-chlorothiophen-3-yl)ethylamino]-N-propylacetamide
CID 102976301
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
CID 65108247

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol (CID 102976523) is 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1csc(Cl)c1.
What is the InChIKey of 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is KXLGWZIBFPITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNOS/c1-4-12(15,5-2)8-14-9(3)10-6-11(13)16-7-10/h6-7,9,14-15H,4-5,8H2,1-3H3.
What are the key properties of 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol?
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 261.82 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 102976523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).