N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide

C15H24N2O3S — CID 3244659

IUPACN,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-13-8-10-14(11-9-13)21(19,20)16-12-6-4-5-7-15(18)17(2)3/h8-11,16H,4-7,12H2,1-3H3
InChIKeyKPYANEFOYKACKM-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.92
Rot. Bonds8

About N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide

N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide (PubChem CID 3244659) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide
PubChem CID3244659
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide
SMILESCc1ccc(S(=O)(=O)NCCCCCC(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O3S/c1-13-8-10-14(11-9-13)21(19,20)16-12-6-4-5-7-15(18)17(2)3/h8-11,16H,4-7,12H2,1-3H3
InChIKeyKPYANEFOYKACKM-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The IUPAC name of N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide (CID 3244659) is N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide.
What is the SMILES notation for N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The canonical SMILES for N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide is Cc1ccc(S(=O)(=O)NCCCCCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
The InChIKey is KPYANEFOYKACKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13-8-10-14(11-9-13)21(19,20)16-12-6-4-5-7-15(18)17(2)3/h8-11,16H,4-7,12H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide?
N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide has a molecular weight of 312.44 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(4-methylphenyl)sulfonylamino]hexanamide is sourced from PubChem (CID 3244659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).