[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium

C20H34N3O3S+ — CID 8650124

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)19-13-11-17(12-14-19)15(3)21-16(4)20(24)22-18-9-7-8-10-18/h11-16,18,21H,5-10H2,1-4H3,(H,22,24)/p+1/t15-,16-/m0/s1
InChIKeyODCJCWMRMLUVJZ-HOTGVXAUSA-O
MW396.58 g/mol
LogP1.79
Rot. Bonds9

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium (PubChem CID 8650124) has the molecular formula C20H34N3O3S+ and a molecular weight of 396.58 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
PubChem CID8650124
Molecular FormulaC20H34N3O3S+
Molecular Weight396.58 g/mol
Exact Mass396.23
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)19-13-11-17(12-14-19)15(3)21-16(4)20(24)22-18-9-7-8-10-18/h11-16,18,21H,5-10H2,1-4H3,(H,22,24)/p+1/t15-,16-/m0/s1
InChIKeyODCJCWMRMLUVJZ-HOTGVXAUSA-O
XLogP1.79
TPSA83.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650158
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]azanium
CID 9393814
[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]azanium
CID 8650554
[(1R)-1-(4-chlorophenyl)ethyl]-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]azanium
CID 8635750
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 7803520
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
N-cyclopentyl-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 45373156
1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea
CID 9283585

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium (CID 8650124) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium is CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CCCC2)cc1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium?
The InChIKey is ODCJCWMRMLUVJZ-HOTGVXAUSA-O. The full InChI is InChI=1S/C20H33N3O3S/c1-5-23(6-2)27(25,26)19-13-11-17(12-14-19)15(3)21-16(4)20(24)22-18-9-7-8-10-18/h11-16,18,21H,5-10H2,1-4H3,(H,22,24)/p+1/t15-,16-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium has a molecular weight of 396.58 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]azanium is sourced from PubChem (CID 8650124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).