N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide

C15H25NO2S — CID 110669404

IUPACN-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)13-16(4)19(17,18)12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyQYOMYEILROLVTG-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.93
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide

N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide (PubChem CID 110669404) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide
PubChem CID110669404
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide
SMILESCN(CC(C)(C)C)S(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)13-16(4)19(17,18)12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3
InChIKeyQYOMYEILROLVTG-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-N-methyl-2-phenylethanesulfonamide
CID 110669403
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
N-benzyl-3-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)propane-1-sulfonamide
CID 146353301
2-methyl-1-(3-phenylpropylsulfonyl)propan-2-ol
CID 111435451
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
1-tert-butyl-4-(3-phenylpropylsulfonylmethyl)benzene
CID 52541496
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332
3-(3-phenylpropylsulfonyl)butan-2-ol
CID 122142904
4-(4-phenylbutylsulfonyl)butylbenzene
CID 70468291
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
3-(2-ethoxyethylsulfonyl)propylbenzene
CID 78832413

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide (CID 110669404) is N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide is CN(CC(C)(C)C)S(=O)(=O)CCCc1ccccc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide?
The InChIKey is QYOMYEILROLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(2,3)13-16(4)19(17,18)12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,8,11-13H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide?
N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide has a molecular weight of 283.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methyl-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110669404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).