(2S)-2-(3-methylthiophen-2-yl)butan-2-amine

C9H15NS — CID 130055008

IUPAC(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
SMILESCC[C@](C)(N)c1sccc1C
InChIInChI=1S/C9H15NS/c1-4-9(3,10)8-7(2)5-6-11-8/h5-6H,4,10H2,1-3H3/t9-/m0/s1
InChIKeyXYOFYKQUEMUTCQ-VIFPVBQESA-N
MW169.29 g/mol
LogP2.64
Rot. Bonds2

About (2S)-2-(3-methylthiophen-2-yl)butan-2-amine

(2S)-2-(3-methylthiophen-2-yl)butan-2-amine (PubChem CID 130055008) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (2S)-2-(3-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
PubChem CID130055008
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(2S)-2-(3-methylthiophen-2-yl)butan-2-amine
SMILESCC[C@](C)(N)c1sccc1C
InChIInChI=1S/C9H15NS/c1-4-9(3,10)8-7(2)5-6-11-8/h5-6H,4,10H2,1-3H3/t9-/m0/s1
InChIKeyXYOFYKQUEMUTCQ-VIFPVBQESA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylthiophen-2-yl)-1-phenylpropan-1-amine
CID 79992050
2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
CID 112565165
2-(1-bromo-2-methylpropan-2-yl)-3-methylthiophene
CID 83692596
1-(3-methylthiophen-2-yl)-1-phenylpropan-1-ol
CID 79990862
N-ethyl-4-methyl-4-(3-methylthiophen-2-yl)pentan-2-amine
CID 79995989
2,2-dimethyl-N'-[2-methyl-2-(3-methylthiophen-2-yl)propyl]propane-1,3-diamine
CID 115200327
1-(4-ethylphenyl)-2-(3-methylthiophen-2-yl)propan-2-ol
CID 63990522
2-(2-chlorothiophen-3-yl)butan-2-amine
CID 131092060
3-hydroxy-3-(3-methylthiophen-2-yl)butanenitrile
CID 79118234
2-(3-methylthiophen-2-yl)pent-4-en-2-ol
CID 79734594
1-(2-chlorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991406
1-(3-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 79991084

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of (2S)-2-(3-methylthiophen-2-yl)butan-2-amine (CID 130055008) is (2S)-2-(3-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-2-(3-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for (2S)-2-(3-methylthiophen-2-yl)butan-2-amine is CC[C@](C)(N)c1sccc1C.
What is the InChIKey of (2S)-2-(3-methylthiophen-2-yl)butan-2-amine?
The InChIKey is XYOFYKQUEMUTCQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NS/c1-4-9(3,10)8-7(2)5-6-11-8/h5-6H,4,10H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-(3-methylthiophen-2-yl)butan-2-amine?
(2S)-2-(3-methylthiophen-2-yl)butan-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 130055008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).