3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

C16H26N2O2S — CID 79352793

IUPAC3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1N
InChIInChI=1S/C16H26N2O2S/c1-6-11-7-8-12(9-13(11)17)21(19,20)18-10-14-15(2,3)16(14,4)5/h7-9,14,18H,6,10,17H2,1-5H3
InChIKeyMQRKPMGWFCMQLR-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.79
Rot. Bonds5

About 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 79352793) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID79352793
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1N
InChIInChI=1S/C16H26N2O2S/c1-6-11-7-8-12(9-13(11)17)21(19,20)18-10-14-15(2,3)16(14,4)5/h7-9,14,18H,6,10,17H2,1-5H3
InChIKeyMQRKPMGWFCMQLR-UHFFFAOYSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79353542
3-amino-N-(cyclopentylmethyl)-4-ethylbenzenesulfonamide
CID 43370862
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
4-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79358755
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
4-(methylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350323
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
3-(1-aminoethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79360331
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (CID 79352793) is 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2C(C)(C)C2(C)C)cc1N.
What is the InChIKey of 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is MQRKPMGWFCMQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-6-11-7-8-12(9-13(11)17)21(19,20)18-10-14-15(2,3)16(14,4)5/h7-9,14,18H,6,10,17H2,1-5H3.
What are the key properties of 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 79352793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).