1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol

C11H19NOS — CID 83929457

IUPAC1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
SMILESCCc1ccc(C(C)CC(O)CN)s1
InChIInChI=1S/C11H19NOS/c1-3-10-4-5-11(14-10)8(2)6-9(13)7-12/h4-5,8-9,13H,3,6-7,12H2,1-2H3
InChIKeyJBZMKLKRWYBUAJ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.12
Rot. Bonds5

About 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol

1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol (PubChem CID 83929457) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
PubChem CID83929457
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol
SMILESCCc1ccc(C(C)CC(O)CN)s1
InChIInChI=1S/C11H19NOS/c1-3-10-4-5-11(14-10)8(2)6-9(13)7-12/h4-5,8-9,13H,3,6-7,12H2,1-2H3
InChIKeyJBZMKLKRWYBUAJ-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-1-(5-ethylthiophen-2-yl)-4-methylpentan-1-ol
CID 65187875
3-(5-ethylthiophen-2-yl)butan-2-ol
CID 66436532
(5-butan-2-ylthiophen-2-yl)methanamine
CID 83827152
4-(5-ethylthiophen-2-yl)hexane-1,2-diol
CID 83929463
5-(5-ethylthiophen-2-yl)hexan-2-one
CID 83929357
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
N-ethyl-1-(5-ethylthiophen-2-yl)ethane-1,2-diamine
CID 62344671
6-(5-propylthiophen-2-yl)heptane-3,4-diol
CID 83929603
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
[1-(5-ethylthiophen-2-yl)-3-methylbutyl]hydrazine
CID 105282687
5-(5-ethylthiophen-2-yl)-5-hydroxy-3-methylpentanoic acid
CID 62942751
1-(5-ethylthiophen-2-yl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912632

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol?
The IUPAC name of 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol (CID 83929457) is 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol.
What is the SMILES notation for 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol?
The canonical SMILES for 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol is CCc1ccc(C(C)CC(O)CN)s1.
What is the InChIKey of 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol?
The InChIKey is JBZMKLKRWYBUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-3-10-4-5-11(14-10)8(2)6-9(13)7-12/h4-5,8-9,13H,3,6-7,12H2,1-2H3.
What are the key properties of 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol?
1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(5-ethylthiophen-2-yl)pentan-2-ol is sourced from PubChem (CID 83929457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).