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

C20H27N2OS+ — CID 9136254

IUPAC[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C20H26N2OS/c1-3-5-15-7-9-16(10-8-15)19(18-6-4-13-24-18)21-14(2)20(23)22-17-11-12-17/h4,6-10,13-14,17,19,21H,3,5,11-12H2,1-2H3,(H,22,23)/p+1/t14-,19+/m0/s1
InChIKeyWYSMVDAOTNCVLY-IFXJQAMLSA-O
MW343.52 g/mol
LogP3.02
Rot. Bonds8

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

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium (PubChem CID 9136254) has the molecular formula C20H27N2OS+ and a molecular weight of 343.52 g/mol. Its IUPAC name is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
PubChem CID9136254
Molecular FormulaC20H27N2OS+
Molecular Weight343.52 g/mol
Exact Mass343.18
IUPAC Name[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
SMILESCCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)c2cccs2)cc1
InChIInChI=1S/C20H26N2OS/c1-3-5-15-7-9-16(10-8-15)19(18-6-4-13-24-18)21-14(2)20(23)22-17-11-12-17/h4,6-10,13-14,17,19,21H,3,5,11-12H2,1-2H3,(H,22,23)/p+1/t14-,19+/m0/s1
InChIKeyWYSMVDAOTNCVLY-IFXJQAMLSA-O
XLogP3.02
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136258
[(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
[(R)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]-[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 8996686
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(S)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136328
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867607
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8863202
(2S)-N-cyclopropyl-2-phenyl-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136339
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769393
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052405
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052568
[(S)-[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]-[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 9126343

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
The IUPAC name of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium (CID 9136254) is [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium.
What is the SMILES notation for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
The canonical SMILES for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium is CCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)NC2CC2)c2cccs2)cc1.
What is the InChIKey of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
The InChIKey is WYSMVDAOTNCVLY-IFXJQAMLSA-O. The full InChI is InChI=1S/C20H26N2OS/c1-3-5-15-7-9-16(10-8-15)19(18-6-4-13-24-18)21-14(2)20(23)22-17-11-12-17/h4,6-10,13-14,17,19,21H,3,5,11-12H2,1-2H3,(H,22,23)/p+1/t14-,19+/m0/s1.
What are the key properties of [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium?
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium has a molecular weight of 343.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium is sourced from PubChem (CID 9136254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).