[(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium

C19H23N4O3S+ — CID 177027285

IUPAC[(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2C(=[NH2+])CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22N4O3S/c1-22(2)27(25,26)16-10-8-15(9-11-16)21-19(24)23-17(12-13-18(23)20)14-6-4-3-5-7-14/h3-11,17,20H,12-13H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1
InChIKeyHSRMDKYLUPESQL-KRWDZBQOSA-O
MW387.49 g/mol
LogP1.46
Rot. Bonds4

About [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium

[(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium (PubChem CID 177027285) has the molecular formula C19H23N4O3S+ and a molecular weight of 387.49 g/mol. Its IUPAC name is [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium.

Molecular Properties

Compound Name[(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium
PubChem CID177027285
Molecular FormulaC19H23N4O3S+
Molecular Weight387.49 g/mol
Exact Mass387.15
IUPAC Name[(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2C(=[NH2+])CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22N4O3S/c1-22(2)27(25,26)16-10-8-15(9-11-16)21-19(24)23-17(12-13-18(23)20)14-6-4-3-5-7-14/h3-11,17,20H,12-13H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1
InChIKeyHSRMDKYLUPESQL-KRWDZBQOSA-O
XLogP1.46
TPSA95.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium?
The IUPAC name of [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium (CID 177027285) is [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium.
What is the SMILES notation for [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium?
The canonical SMILES for [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium is CN(C)S(=O)(=O)c1ccc(NC(=O)N2C(=[NH2+])CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium?
The InChIKey is HSRMDKYLUPESQL-KRWDZBQOSA-O. The full InChI is InChI=1S/C19H22N4O3S/c1-22(2)27(25,26)16-10-8-15(9-11-16)21-19(24)23-17(12-13-18(23)20)14-6-4-3-5-7-14/h3-11,17,20H,12-13H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1.
What are the key properties of [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium?
[(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium has a molecular weight of 387.49 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-[[4-(dimethylsulfamoyl)phenyl]carbamoyl]-5-phenylpyrrolidin-2-ylidene]azanium is sourced from PubChem (CID 177027285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).