(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine

C8H15NS — CID 89017432

IUPAC(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine
SMILESCC[C@@H](N)C1=CCC(C)S1
InChIInChI=1S/C8H15NS/c1-3-7(9)8-5-4-6(2)10-8/h5-7H,3-4,9H2,1-2H3/t6?,7-/m1/s1
InChIKeySZALGPGBEFOUDC-COBSHVIPSA-N
MW157.28 g/mol
LogP2.13
Rot. Bonds2

About (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine

(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine (PubChem CID 89017432) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine
PubChem CID89017432
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine
SMILESCC[C@@H](N)C1=CCC(C)S1
InChIInChI=1S/C8H15NS/c1-3-7(9)8-5-4-6(2)10-8/h5-7H,3-4,9H2,1-2H3/t6?,7-/m1/s1
InChIKeySZALGPGBEFOUDC-COBSHVIPSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine?
The IUPAC name of (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine (CID 89017432) is (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine is CC[C@@H](N)C1=CCC(C)S1.
What is the InChIKey of (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine?
The InChIKey is SZALGPGBEFOUDC-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15NS/c1-3-7(9)8-5-4-6(2)10-8/h5-7H,3-4,9H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine?
(1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine has a molecular weight of 157.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methyl-2,3-dihydrothiophen-5-yl)propan-1-amine is sourced from PubChem (CID 89017432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).