[3-(1-aminobutyl)thiophen-2-yl]methanol

C9H15NOS — CID 55272774

IUPAC[3-(1-aminobutyl)thiophen-2-yl]methanol
SMILESCCCC(N)c1ccsc1CO
InChIInChI=1S/C9H15NOS/c1-2-3-8(10)7-4-5-12-9(7)6-11/h4-5,8,11H,2-3,6,10H2,1H3
InChIKeyBNTYZXQOYYHPTK-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.04
Rot. Bonds4

About [3-(1-aminobutyl)thiophen-2-yl]methanol

[3-(1-aminobutyl)thiophen-2-yl]methanol (PubChem CID 55272774) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is [3-(1-aminobutyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(1-aminobutyl)thiophen-2-yl]methanol
PubChem CID55272774
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name[3-(1-aminobutyl)thiophen-2-yl]methanol
SMILESCCCC(N)c1ccsc1CO
InChIInChI=1S/C9H15NOS/c1-2-3-8(10)7-4-5-12-9(7)6-11/h4-5,8,11H,2-3,6,10H2,1H3
InChIKeyBNTYZXQOYYHPTK-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-amino-2-methoxyethyl)thiophen-2-yl]methanol
CID 55270764
(3S)-3-amino-3-[2-(hydroxymethyl)thiophen-3-yl]propanenitrile
CID 55292478
[3-[(S)-amino(cyclopropyl)methyl]thiophen-2-yl]methanol
CID 55292192
CID 172777676
CID 172777676
3-amino-3-(2-chlorothiophen-3-yl)propan-1-ol
CID 55295934
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
4-amino-1-(3-methylthiophen-2-yl)heptan-3-ol
CID 83929212
(1R)-1-(2-propan-2-ylphenyl)butan-1-amine
CID 55278414
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
2-(2-ethylthiophen-3-yl)propane-1,3-diamine
CID 70508164

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminobutyl)thiophen-2-yl]methanol?
The IUPAC name of [3-(1-aminobutyl)thiophen-2-yl]methanol (CID 55272774) is [3-(1-aminobutyl)thiophen-2-yl]methanol.
What is the SMILES notation for [3-(1-aminobutyl)thiophen-2-yl]methanol?
The canonical SMILES for [3-(1-aminobutyl)thiophen-2-yl]methanol is CCCC(N)c1ccsc1CO.
What is the InChIKey of [3-(1-aminobutyl)thiophen-2-yl]methanol?
The InChIKey is BNTYZXQOYYHPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-3-8(10)7-4-5-12-9(7)6-11/h4-5,8,11H,2-3,6,10H2,1H3.
What are the key properties of [3-(1-aminobutyl)thiophen-2-yl]methanol?
[3-(1-aminobutyl)thiophen-2-yl]methanol has a molecular weight of 185.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminobutyl)thiophen-2-yl]methanol is sourced from PubChem (CID 55272774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).