3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide

C13H22N2O3S — CID 110209336

IUPAC3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCOCC(C)CNc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H22N2O3S/c1-11(10-18-4)9-14-12-6-5-7-13(8-12)19(16,17)15(2)3/h5-8,11,14H,9-10H2,1-4H3
InChIKeyRUGGNZJNPHUCPD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.63
Rot. Bonds7

About 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide

3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 110209336) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID110209336
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCOCC(C)CNc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C13H22N2O3S/c1-11(10-18-4)9-14-12-6-5-7-13(8-12)19(16,17)15(2)3/h5-8,11,14H,9-10H2,1-4H3
InChIKeyRUGGNZJNPHUCPD-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide (CID 110209336) is 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide is COCC(C)CNc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is RUGGNZJNPHUCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-11(10-18-4)9-14-12-6-5-7-13(8-12)19(16,17)15(2)3/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide?
3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 110209336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).