3-(1-thiophen-3-ylethylamino)butan-1-ol

C10H17NOS — CID 81338166

IUPAC3-(1-thiophen-3-ylethylamino)butan-1-ol
SMILESCC(CCO)NC(C)c1ccsc1
InChIInChI=1S/C10H17NOS/c1-8(3-5-12)11-9(2)10-4-6-13-7-10/h4,6-9,11-12H,3,5H2,1-2H3
InChIKeyLVYYFIKJOLGECX-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.17
Rot. Bonds5

About 3-(1-thiophen-3-ylethylamino)butan-1-ol

3-(1-thiophen-3-ylethylamino)butan-1-ol (PubChem CID 81338166) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 3-(1-thiophen-3-ylethylamino)butan-1-ol.

Molecular Properties

Compound Name3-(1-thiophen-3-ylethylamino)butan-1-ol
PubChem CID81338166
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name3-(1-thiophen-3-ylethylamino)butan-1-ol
SMILESCC(CCO)NC(C)c1ccsc1
InChIInChI=1S/C10H17NOS/c1-8(3-5-12)11-9(2)10-4-6-13-7-10/h4,6-9,11-12H,3,5H2,1-2H3
InChIKeyLVYYFIKJOLGECX-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
N-(1-thiophen-3-ylethyl)pent-4-yn-2-amine
CID 115725339
3-methyl-2-(1-thiophen-3-ylethylamino)pentan-1-ol
CID 115891676
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
4-[1-(1-thiophen-3-ylethylamino)propyl]phenol
CID 62840966
3-[1-(5-chlorothiophen-3-yl)ethylamino]butan-1-ol
CID 102976617
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
1-(2-chlorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 62089455
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793

Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-3-ylethylamino)butan-1-ol?
The IUPAC name of 3-(1-thiophen-3-ylethylamino)butan-1-ol (CID 81338166) is 3-(1-thiophen-3-ylethylamino)butan-1-ol.
What is the SMILES notation for 3-(1-thiophen-3-ylethylamino)butan-1-ol?
The canonical SMILES for 3-(1-thiophen-3-ylethylamino)butan-1-ol is CC(CCO)NC(C)c1ccsc1.
What is the InChIKey of 3-(1-thiophen-3-ylethylamino)butan-1-ol?
The InChIKey is LVYYFIKJOLGECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(3-5-12)11-9(2)10-4-6-13-7-10/h4,6-9,11-12H,3,5H2,1-2H3.
What are the key properties of 3-(1-thiophen-3-ylethylamino)butan-1-ol?
3-(1-thiophen-3-ylethylamino)butan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-3-ylethylamino)butan-1-ol is sourced from PubChem (CID 81338166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).