(3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol

C10H17NOS — CID 130782188

IUPAC(3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol
SMILESCC(C)(CO)[C@@](C)(N)c1cccs1
InChIInChI=1S/C10H17NOS/c1-9(2,7-12)10(3,11)8-5-4-6-13-8/h4-6,12H,7,11H2,1-3H3/t10-/m0/s1
InChIKeyMHDQGULBDFNEFV-JTQLQIEISA-N
MW199.32 g/mol
LogP1.94
Rot. Bonds3

About (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol

(3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol (PubChem CID 130782188) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol
PubChem CID130782188
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol
SMILESCC(C)(CO)[C@@](C)(N)c1cccs1
InChIInChI=1S/C10H17NOS/c1-9(2,7-12)10(3,11)8-5-4-6-13-8/h4-6,12H,7,11H2,1-3H3/t10-/m0/s1
InChIKeyMHDQGULBDFNEFV-JTQLQIEISA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
CID 55274112
2-tert-butylthiophene;methanamine
CID 143976463
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 116839610
2-(2-bromopropan-2-yl)thiophene
CID 174915633
3-amino-3-thiophen-2-ylbutanoic acid
CID 55270951
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
2-(1,1-dichloroethyl)thiophene
CID 12555703
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol (CID 130782188) is (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol is CC(C)(CO)[C@@](C)(N)c1cccs1.
What is the InChIKey of (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol?
The InChIKey is MHDQGULBDFNEFV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(2,7-12)10(3,11)8-5-4-6-13-8/h4-6,12H,7,11H2,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol?
(3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol has a molecular weight of 199.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-dimethyl-3-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 130782188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).