N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide

C16H18N2O3S — CID 75431341

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c2cccnc12
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-15(14-3-2-8-17-16(11)14)22(20,21)18-13-6-5-12(9-13)10-19/h2-8,12-13,18-19H,9-10H2,1H3/t12-,13+/m0/s1
InChIKeyUUDYGGGCQUAHTC-QWHCGFSZSA-N
MW318.40 g/mol
LogP1.76
Rot. Bonds4

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide (PubChem CID 75431341) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide
PubChem CID75431341
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c2cccnc12
InChIInChI=1S/C16H18N2O3S/c1-11-4-7-15(14-3-2-8-17-16(11)14)22(20,21)18-13-6-5-12(9-13)10-19/h2-8,12-13,18-19H,9-10H2,1H3/t12-,13+/m0/s1
InChIKeyUUDYGGGCQUAHTC-QWHCGFSZSA-N
XLogP1.76
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide (CID 75431341) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c2cccnc12.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide?
The InChIKey is UUDYGGGCQUAHTC-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-4-7-15(14-3-2-8-17-16(11)14)22(20,21)18-13-6-5-12(9-13)10-19/h2-8,12-13,18-19H,9-10H2,1H3/t12-,13+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide has a molecular weight of 318.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 75431341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).