N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide

C14H24N2O2S — CID 70331751

IUPACN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)13(15-4)11-16(5)19(17,18)12-9-7-6-8-10-12/h6-10,13,15H,11H2,1-5H3/t13-/m1/s1
InChIKeyXUAMMAVQIHVLKK-CYBMUJFWSA-N
MW284.42 g/mol
LogP1.94
Rot. Bonds5

About N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide

N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide (PubChem CID 70331751) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
PubChem CID70331751
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide
SMILESCN[C@H](CN(C)S(=O)(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H24N2O2S/c1-14(2,3)13(15-4)11-16(5)19(17,18)12-9-7-6-8-10-12/h6-10,13,15H,11H2,1-5H3/t13-/m1/s1
InChIKeyXUAMMAVQIHVLKK-CYBMUJFWSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide (CID 70331751) is N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide is CN[C@H](CN(C)S(=O)(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
The InChIKey is XUAMMAVQIHVLKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-14(2,3)13(15-4)11-16(5)19(17,18)12-9-7-6-8-10-12/h6-10,13,15H,11H2,1-5H3/t13-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide?
N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-2-(methylamino)butyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 70331751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).