(1S)-1-amino-1-thiophen-2-ylbutan-1-ol

C8H13NOS — CID 67452361

IUPAC(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
SMILESCCC[C@](N)(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-2-5-8(9,10)7-4-3-6-11-7/h3-4,6,10H,2,5,9H2,1H3/t8-/m0/s1
InChIKeyBQXMWVWPXLGGNO-QMMMGPOBSA-N
MW171.27 g/mol
LogP1.65
Rot. Bonds3

About (1S)-1-amino-1-thiophen-2-ylbutan-1-ol

(1S)-1-amino-1-thiophen-2-ylbutan-1-ol (PubChem CID 67452361) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is (1S)-1-amino-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
PubChem CID67452361
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
SMILESCCC[C@](N)(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-2-5-8(9,10)7-4-3-6-11-7/h3-4,6,10H,2,5,9H2,1H3/t8-/m0/s1
InChIKeyBQXMWVWPXLGGNO-QMMMGPOBSA-N
XLogP1.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
CID 66989083
(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
CID 55274112
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
1-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 23070248
2-(6-methyltridecan-6-yl)thiophene
CID 139342178
4-(2-thiophen-2-ylethyl)heptan-4-ol
CID 114865888
3-methyl-2-thiophen-2-ylbut-3-en-2-ol
CID 79189785
2-tert-butylthiophene;methanamine
CID 143976463
2-thiophen-2-ylhex-5-yn-2-ol
CID 63656687
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
1-thiophen-2-ylpropane-1,1-dithiol
CID 154261412
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of (1S)-1-amino-1-thiophen-2-ylbutan-1-ol (CID 67452361) is (1S)-1-amino-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for (1S)-1-amino-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for (1S)-1-amino-1-thiophen-2-ylbutan-1-ol is CCC[C@](N)(O)c1cccs1.
What is the InChIKey of (1S)-1-amino-1-thiophen-2-ylbutan-1-ol?
The InChIKey is BQXMWVWPXLGGNO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-5-8(9,10)7-4-3-6-11-7/h3-4,6,10H,2,5,9H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-amino-1-thiophen-2-ylbutan-1-ol?
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol has a molecular weight of 171.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 67452361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).