(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine

C9H15NS — CID 55293617

IUPAC(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
SMILESCc1csc([C@@H](N)C(C)C)c1
InChIInChI=1S/C9H15NS/c1-6(2)9(10)8-4-7(3)5-11-8/h4-6,9H,10H2,1-3H3/t9-/m0/s1
InChIKeyRZNSRAXWDOYEDA-VIFPVBQESA-N
MW169.29 g/mol
LogP2.71
Rot. Bonds2

About (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine

(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine (PubChem CID 55293617) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
PubChem CID55293617
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
SMILESCc1csc([C@@H](N)C(C)C)c1
InChIInChI=1S/C9H15NS/c1-6(2)9(10)8-4-7(3)5-11-8/h4-6,9H,10H2,1-3H3/t9-/m0/s1
InChIKeyRZNSRAXWDOYEDA-VIFPVBQESA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
CID 19422956
ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
CID 156724928
(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
CID 55296384
1-(4-methylthiophen-2-yl)prop-2-en-1-amine
CID 55294447
2-(4-methylthiophen-2-yl)propanamide
CID 90822856
3-methyl-2-(4-methylthiophen-2-yl)butanoic acid
CID 23317022
2,4-bis(4-methylthiophen-2-yl)pentan-3-one
CID 67705817
5-[(1R)-1-amino-2-methylpropyl]thiophene-3-carboximidamide
CID 163225050
(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
CID 130623525
(4-methylthiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
CID 131015174
(2R)-1-(4-methylthiophen-2-yl)propan-2-amine
CID 18656689

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine (CID 55293617) is (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine is Cc1csc([C@@H](N)C(C)C)c1.
What is the InChIKey of (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine?
The InChIKey is RZNSRAXWDOYEDA-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NS/c1-6(2)9(10)8-4-7(3)5-11-8/h4-6,9H,10H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine?
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine has a molecular weight of 169.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 55293617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).