3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol

C10H17NOS — CID 43206579

IUPAC3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
SMILESCc1ccc(C(C)NCCCO)s1
InChIInChI=1S/C10H17NOS/c1-8-4-5-10(13-8)9(2)11-6-3-7-12/h4-5,9,11-12H,3,6-7H2,1-2H3
InChIKeyATZZEGUPVVYEQI-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.09
Rot. Bonds5

About 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol

3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol (PubChem CID 43206579) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
PubChem CID43206579
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
SMILESCc1ccc(C(C)NCCCO)s1
InChIInChI=1S/C10H17NOS/c1-8-4-5-10(13-8)9(2)11-6-3-7-12/h4-5,9,11-12H,3,6-7H2,1-2H3
InChIKeyATZZEGUPVVYEQI-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol?
The IUPAC name of 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol (CID 43206579) is 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol is Cc1ccc(C(C)NCCCO)s1.
What is the InChIKey of 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol?
The InChIKey is ATZZEGUPVVYEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8-4-5-10(13-8)9(2)11-6-3-7-12/h4-5,9,11-12H,3,6-7H2,1-2H3.
What are the key properties of 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol?
3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 43206579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).