N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide

C14H24N2O2S — CID 119991476

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N(C)CC(C)(C)CN)c1
InChIInChI=1S/C14H24N2O2S/c1-12-6-5-7-13(8-12)9-19(17,18)16(4)11-14(2,3)10-15/h5-8H,9-11,15H2,1-4H3
InChIKeyDUUIFEOKSPXCIO-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.74
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide (PubChem CID 119991476) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
PubChem CID119991476
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)N(C)CC(C)(C)CN)c1
InChIInChI=1S/C14H24N2O2S/c1-12-6-5-7-13(8-12)9-19(17,18)16(4)11-14(2,3)10-15/h5-8H,9-11,15H2,1-4H3
InChIKeyDUUIFEOKSPXCIO-UHFFFAOYSA-N
XLogP1.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide (CID 119991476) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide is Cc1cccc(CS(=O)(=O)N(C)CC(C)(C)CN)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide?
The InChIKey is DUUIFEOKSPXCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-12-6-5-7-13(8-12)9-19(17,18)16(4)11-14(2,3)10-15/h5-8H,9-11,15H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 119991476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).