N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide

C15H26N2O2S — CID 120665116

IUPACN-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H26N2O2S/c1-7-16-12(4)9-17-20(18,19)15-13(5)10(2)8-11(3)14(15)6/h8,12,16-17H,7,9H2,1-6H3/t12-/m1/s1
InChIKeyBHIKYZGDBAIEBC-GFCCVEGCSA-N
MW298.45 g/mol
LogP2.20
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 120665116) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID120665116
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H26N2O2S/c1-7-16-12(4)9-17-20(18,19)15-13(5)10(2)8-11(3)14(15)6/h8,12,16-17H,7,9H2,1-6H3/t12-/m1/s1
InChIKeyBHIKYZGDBAIEBC-GFCCVEGCSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1-((2,5-dimethylphenyl)sulfonyl)-
CID 2384617
2,4,5-trimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 700222
N-cyclohexyl-2,3,5,6-tetramethylbenzenesulfonamide
CID 2979217
1-Methyl-4-[(2,3,5,6-tetramethylphenyl)sulfonyl]piperazine
CID 897460
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine
CID 2431957
1-Methyl-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepane
CID 2384257
Benzenesulfonic acid, (tetrapropenyl)-, compd. with 2-propanamine (1:1)
CID 22833426
4-(2,3,5,6-Tetramethylphenyl)sulfonylpiperazin-2-one
CID 4882689
1-(Pentamethylbenzenesulfonyl)piperazine hydrochloride
CID 16196345
N,N,2,3,5,6-hexamethylbenzenesulfonamide
CID 6463325
1-(Pentamethylbenzenesulfonyl)piperazine
CID 2090993
1-(2,3,5,6-Tetramethylbenzenesulfonyl)piperazine hydrochloride
CID 42917349

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 120665116) is N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide is CCN[C@H](C)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is BHIKYZGDBAIEBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-7-16-12(4)9-17-20(18,19)15-13(5)10(2)8-11(3)14(15)6/h8,12,16-17H,7,9H2,1-6H3/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 120665116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).