[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium

C18H25N2OS+ — CID 9136328

IUPAC[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCCc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC)c2cccs2)cc1
InChIInChI=1S/C18H24N2OS/c1-4-6-14-8-10-15(11-9-14)17(16-7-5-12-22-16)20-13(2)18(21)19-3/h5,7-13,17,20H,4,6H2,1-3H3,(H,19,21)/p+1/t13-,17-/m0/s1
InChIKeyIYLQSYLKCUEKSF-GUYCJALGSA-O
MW317.48 g/mol
LogP2.49
Rot. Bonds7

About [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium

[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 9136328) has the molecular formula C18H25N2OS+ and a molecular weight of 317.48 g/mol. Its IUPAC name is [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID9136328
Molecular FormulaC18H25N2OS+
Molecular Weight317.48 g/mol
Exact Mass317.17
IUPAC Name[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCCc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC)c2cccs2)cc1
InChIInChI=1S/C18H24N2OS/c1-4-6-14-8-10-15(11-9-14)17(16-7-5-12-22-16)20-13(2)18(21)19-3/h5,7-13,17,20H,4,6H2,1-3H3,(H,19,21)/p+1/t13-,17-/m0/s1
InChIKeyIYLQSYLKCUEKSF-GUYCJALGSA-O
XLogP2.49
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136254
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136258
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8868453
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769393
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769307
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769303
[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 9126343
[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8996836
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8996686
1-(4-propylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398434
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867469
[(2S)-1-amino-1-oxopropan-2-yl]-[(R)-[4-[(2R)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]azanium
CID 8996708

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium (CID 9136328) is [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium is CCCc1ccc([C@H]([NH2+][C@@H](C)C(=O)NC)c2cccs2)cc1.
What is the InChIKey of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is IYLQSYLKCUEKSF-GUYCJALGSA-O. The full InChI is InChI=1S/C18H24N2OS/c1-4-6-14-8-10-15(11-9-14)17(16-7-5-12-22-16)20-13(2)18(21)19-3/h5,7-13,17,20H,4,6H2,1-3H3,(H,19,21)/p+1/t13-,17-/m0/s1.
What are the key properties of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 317.48 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 9136328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).