3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

C15H26N2O3S — CID 107406071

IUPAC3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N(C)C(C)COC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-12-8-14(16)13(7-2)15(9-12)21(18,19)17(4)11(3)10-20-5/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyVCNGUDDNSQXNSZ-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.05
Rot. Bonds7

About 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 107406071) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID107406071
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)N(C)C(C)COC)c1
InChIInChI=1S/C15H26N2O3S/c1-6-12-8-14(16)13(7-2)15(9-12)21(18,19)17(4)11(3)10-20-5/h8-9,11H,6-7,10,16H2,1-5H3
InChIKeyVCNGUDDNSQXNSZ-UHFFFAOYSA-N
XLogP2.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-diethyl-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 107405806
3-amino-2,5-diethyl-N-methyl-N-propylbenzenesulfonamide
CID 107405765
2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61116591
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61114511
methyl 3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoate
CID 61115645
3-amino-5-fluoro-N-(1-methoxypropan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 116791621
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 55135939
3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 81471352
3-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-nitrobenzenesulfonamide
CID 82845812
3-amino-N,2,5-triethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107405917
4-(1-aminoethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61452492
3-amino-N-(1-methoxypropan-2-yl)-N,2,6-trimethylbenzenesulfonamide
CID 61114136

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (CID 107406071) is 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)N(C)C(C)COC)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is VCNGUDDNSQXNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-6-12-8-14(16)13(7-2)15(9-12)21(18,19)17(4)11(3)10-20-5/h8-9,11H,6-7,10,16H2,1-5H3.
What are the key properties of 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107406071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).