N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide

C15H24N2O3S — CID 82737506

IUPACN-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)N(C)C2CCOC2)c1
InChIInChI=1S/C15H24N2O3S/c1-4-15(16-2)12-6-5-7-14(10-12)21(18,19)17(3)13-8-9-20-11-13/h5-7,10,13,15-16H,4,8-9,11H2,1-3H3
InChIKeyFIZKVRGDTSVQAQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.77
Rot. Bonds6

About N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide

N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide (PubChem CID 82737506) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
PubChem CID82737506
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
SMILESCCC(NC)c1cccc(S(=O)(=O)N(C)C2CCOC2)c1
InChIInChI=1S/C15H24N2O3S/c1-4-15(16-2)12-6-5-7-14(10-12)21(18,19)17(3)13-8-9-20-11-13/h5-7,10,13,15-16H,4,8-9,11H2,1-3H3
InChIKeyFIZKVRGDTSVQAQ-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide (CID 82737506) is N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide is CCC(NC)c1cccc(S(=O)(=O)N(C)C2CCOC2)c1.
What is the InChIKey of N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide?
The InChIKey is FIZKVRGDTSVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-4-15(16-2)12-6-5-7-14(10-12)21(18,19)17(3)13-8-9-20-11-13/h5-7,10,13,15-16H,4,8-9,11H2,1-3H3.
What are the key properties of N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide?
N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82737506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).