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

C8H13NOS — CID 55274112

IUPAC(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
SMILESCC[C@@](N)(CO)c1cccs1
InChIInChI=1S/C8H13NOS/c1-2-8(9,6-10)7-4-3-5-11-7/h3-5,10H,2,6,9H2,1H3/t8-/m1/s1
InChIKeyYIGOUKBDRVWFHZ-MRVPVSSYSA-N
MW171.27 g/mol
LogP1.30
Rot. Bonds3

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

(2R)-2-amino-2-thiophen-2-ylbutan-1-ol (PubChem CID 55274112) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is (2R)-2-amino-2-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
PubChem CID55274112
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
SMILESCC[C@@](N)(CO)c1cccs1
InChIInChI=1S/C8H13NOS/c1-2-8(9,6-10)7-4-3-5-11-7/h3-5,10H,2,6,9H2,1H3/t8-/m1/s1
InChIKeyYIGOUKBDRVWFHZ-MRVPVSSYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol
CID 130782188
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
1-thiophen-2-ylpropane-1,1-dithiol
CID 154261412
(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
CID 66989083
1-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 23070248
2-tert-butylthiophene;methanamine
CID 143976463
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
4-amino-3-ethyl-4-methyl-3-thiophen-2-ylpentanoic acid
CID 66090723
2-fluoro-1-phenyl-2-thiophen-2-ylbutan-1-one
CID 174927610
ethyl 2-methyl-2-thiophen-2-ylpropanoate
CID 21099804
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-thiophen-2-ylbutan-1-ol?
The IUPAC name of (2R)-2-amino-2-thiophen-2-ylbutan-1-ol (CID 55274112) is (2R)-2-amino-2-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-thiophen-2-ylbutan-1-ol?
The canonical SMILES for (2R)-2-amino-2-thiophen-2-ylbutan-1-ol is CC[C@@](N)(CO)c1cccs1.
What is the InChIKey of (2R)-2-amino-2-thiophen-2-ylbutan-1-ol?
The InChIKey is YIGOUKBDRVWFHZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-8(9,6-10)7-4-3-5-11-7/h3-5,10H,2,6,9H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-thiophen-2-ylbutan-1-ol?
(2R)-2-amino-2-thiophen-2-ylbutan-1-ol has a molecular weight of 171.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 55274112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).