N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide

C17H30N2O2S — CID 10064973

IUPACN-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide
SMILESCC(C)Cc1ccc(C(C)S(=O)(=O)NCCCN(C)C)cc1
InChIInChI=1S/C17H30N2O2S/c1-14(2)13-16-7-9-17(10-8-16)15(3)22(20,21)18-11-6-12-19(4)5/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyQVOGHXJQPKWVLD-UHFFFAOYSA-N
MW326.51 g/mol
LogP2.82
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide

N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide (PubChem CID 10064973) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide
PubChem CID10064973
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC NameN-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide
SMILESCC(C)Cc1ccc(C(C)S(=O)(=O)NCCCN(C)C)cc1
InChIInChI=1S/C17H30N2O2S/c1-14(2)13-16-7-9-17(10-8-16)15(3)22(20,21)18-11-6-12-19(4)5/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyQVOGHXJQPKWVLD-UHFFFAOYSA-N
XLogP2.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 52.82
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-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide (CID 10064973) is N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide is CC(C)Cc1ccc(C(C)S(=O)(=O)NCCCN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
The InChIKey is QVOGHXJQPKWVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-14(2)13-16-7-9-17(10-8-16)15(3)22(20,21)18-11-6-12-19(4)5/h7-10,14-15,18H,6,11-13H2,1-5H3.
What are the key properties of N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide?
N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide has a molecular weight of 326.51 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-[4-(2-methylpropyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 10064973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).