(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol

C8H13NOS — CID 66989083

IUPAC(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
SMILESCC(C)[C@](N)(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-6(2)8(9,10)7-4-3-5-11-7/h3-6,10H,9H2,1-2H3/t8-/m0/s1
InChIKeyNXLTTZFEKCLQID-QMMMGPOBSA-N
MW171.27 g/mol
LogP1.51
Rot. Bonds2

About (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol

(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 66989083) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
PubChem CID66989083
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol
SMILESCC(C)[C@](N)(O)c1cccs1
InChIInChI=1S/C8H13NOS/c1-6(2)8(9,10)7-4-3-5-11-7/h3-6,10H,9H2,1-2H3/t8-/m0/s1
InChIKeyNXLTTZFEKCLQID-QMMMGPOBSA-N
XLogP1.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.51
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-1-thiophen-2-ylbutan-1-ol
CID 67452361
2-(2,3,3,4-tetramethylpentan-2-yl)thiophene
CID 126728897
methyl 3-hydroxy-2-methyl-3-thiophen-2-ylbutanoate
CID 72784913
2-(dimethylamino)-1,1-dithiophen-2-ylpropan-1-ol;hydrochloride
CID 24843505
2-tert-butylthiophene;methanamine
CID 143976463
(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
CID 55274112
2-(2-methoxy-3-methylbutan-2-yl)thiophene
CID 58481755
1-(methylamino)-1-thiophen-2-ylpropan-1-ol
CID 23070248
1-hydroxy-1,1-dithiophen-2-ylpropan-2-one
CID 23553455
N-propan-2-yl-2-thiophen-2-ylpropan-2-amine
CID 130725780
2-(2-bromopropan-2-yl)thiophene
CID 174915633
3-methyl-2-thiophen-2-ylbut-3-en-2-ol
CID 79189785

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol (CID 66989083) is (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol is CC(C)[C@](N)(O)c1cccs1.
What is the InChIKey of (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is NXLTTZFEKCLQID-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)8(9,10)7-4-3-5-11-7/h3-6,10H,9H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol?
(1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 171.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-2-methyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 66989083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).