(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine

C9H15NS — CID 96850699

IUPAC(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccsc1C[C@H](C)N
InChIInChI=1S/C9H15NS/c1-3-8-4-5-11-9(8)6-7(2)10/h4-5,7H,3,6,10H2,1-2H3/t7-/m0/s1
InChIKeyKUMDHAOTFRZWBJ-ZETCQYMHSA-N
MW169.29 g/mol
LogP2.20
Rot. Bonds3

About (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine

(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine (PubChem CID 96850699) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine
PubChem CID96850699
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccsc1C[C@H](C)N
InChIInChI=1S/C9H15NS/c1-3-8-4-5-11-9(8)6-7(2)10/h4-5,7H,3,6,10H2,1-2H3/t7-/m0/s1
InChIKeyKUMDHAOTFRZWBJ-ZETCQYMHSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine?
The IUPAC name of (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine (CID 96850699) is (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine is CCc1ccsc1C[C@H](C)N.
What is the InChIKey of (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine?
The InChIKey is KUMDHAOTFRZWBJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15NS/c1-3-8-4-5-11-9(8)6-7(2)10/h4-5,7H,3,6,10H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine?
(2S)-1-(3-ethylthiophen-2-yl)propan-2-amine has a molecular weight of 169.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-ethylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 96850699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).