N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide

C14H24N2O2S — CID 2314590

IUPACN-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCCN(CC)CC(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-5-16(6-2)12-14(3,4)15-19(17,18)13-10-8-7-9-11-13/h7-11,15H,5-6,12H2,1-4H3
InChIKeyVGEZCCOUSGSBPH-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.09
Rot. Bonds7

About N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide

N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide (PubChem CID 2314590) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide
PubChem CID2314590
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC NameN-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide
SMILESCCN(CC)CC(C)(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-5-16(6-2)12-14(3,4)15-19(17,18)13-10-8-7-9-11-13/h7-11,15H,5-6,12H2,1-4H3
InChIKeyVGEZCCOUSGSBPH-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxy-2-methylpropan-2-yl)benzenesulfonamide
CID 786529
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
N-(1-bromo-3-methylpentan-3-yl)benzenesulfonamide
CID 106170023
N-(1,2-dihydroxypropan-2-yl)benzenesulfonamide
CID 172624828
2-(benzenesulfonamido)-2-methylbutanethioamide
CID 61124279
N-[5-(diethylamino)pentyl]benzenesulfonamide
CID 110444587
N-[3-(aminomethyl)pentan-3-yl]benzenesulfonamide;hydrochloride
CID 119981214
N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
CID 2314582
N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide
CID 2314581
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-2-yl]benzenesulfonamide
CID 2314619
ethyl 2-amino-2-(benzenesulfonamido)propanoate
CID 57069494
N-[2-(2-methylbutan-2-ylamino)ethyl]benzenesulfonamide
CID 47364182

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide (CID 2314590) is N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide is CCN(CC)CC(C)(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
The InChIKey is VGEZCCOUSGSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-16(6-2)12-14(3,4)15-19(17,18)13-10-8-7-9-11-13/h7-11,15H,5-6,12H2,1-4H3.
What are the key properties of N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide?
N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide has a molecular weight of 284.42 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-2-methylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2314590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).