[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

C19H25N2OS+ — CID 8863202

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@H]([NH2+][C@@H](c1ccccc1)c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C19H24N2OS/c1-14(19(22)21-16-10-5-6-11-16)20-18(17-12-7-13-23-17)15-8-3-2-4-9-15/h2-4,7-9,12-14,16,18,20H,5-6,10-11H2,1H3,(H,21,22)/p+1/t14-,18-/m0/s1
InChIKeyHPZDFUSILUFZFL-KSSFIOAISA-O
MW329.49 g/mol
LogP2.85
Rot. Bonds6

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (PubChem CID 8863202) has the molecular formula C19H25N2OS+ and a molecular weight of 329.49 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
PubChem CID8863202
Molecular FormulaC19H25N2OS+
Molecular Weight329.49 g/mol
Exact Mass329.17
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
SMILESC[C@H]([NH2+][C@@H](c1ccccc1)c1cccs1)C(=O)NC1CCCC1
InChIInChI=1S/C19H24N2OS/c1-14(19(22)21-16-10-5-6-11-16)20-18(17-12-7-13-23-17)15-8-3-2-4-9-15/h2-4,7-9,12-14,16,18,20H,5-6,10-11H2,1H3,(H,21,22)/p+1/t14-,18-/m0/s1
InChIKeyHPZDFUSILUFZFL-KSSFIOAISA-O
XLogP2.85
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 8867607
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052405
[(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
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136258
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]azanium
CID 9136254
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052568
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051205
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051374
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051308

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium (CID 8863202) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is C[C@H]([NH2+][C@@H](c1ccccc1)c1cccs1)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
The InChIKey is HPZDFUSILUFZFL-KSSFIOAISA-O. The full InChI is InChI=1S/C19H24N2OS/c1-14(19(22)21-16-10-5-6-11-16)20-18(17-12-7-13-23-17)15-8-3-2-4-9-15/h2-4,7-9,12-14,16,18,20H,5-6,10-11H2,1H3,(H,21,22)/p+1/t14-,18-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium has a molecular weight of 329.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium is sourced from PubChem (CID 8863202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).