5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide

C15H27N3O2S — CID 61476241

IUPAC5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-12-7-8-13(16)9-15(12)21(19,20)17-14(11(2)3)10-18(4)5/h7-9,11,14,17H,6,10,16H2,1-5H3
InChIKeyLMCOVNHUVQPESI-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.70
Rot. Bonds7

About 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide

5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide (PubChem CID 61476241) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
PubChem CID61476241
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-12-7-8-13(16)9-15(12)21(19,20)17-14(11(2)3)10-18(4)5/h7-9,11,14,17H,6,10,16H2,1-5H3
InChIKeyLMCOVNHUVQPESI-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476056
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methoxybenzenesulfonamide
CID 61476398
5-amino-2-ethyl-N-pentan-3-ylbenzenesulfonamide
CID 43255687
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-methylbenzenesulfonamide
CID 61476316
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79568750
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
4-amino-2,6-dibromo-N-[1-(dimethylamino)-3-methylbutan-2-yl]benzenesulfonamide
CID 61476435
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxybenzenesulfonamide
CID 81241641
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylaminomethyl)benzenesulfonamide
CID 106052029
5-amino-2-ethyl-N,N-bis(2-methylpropyl)benzenesulfonamide
CID 43587392

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide (CID 61476241) is 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide?
The InChIKey is LMCOVNHUVQPESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-12-7-8-13(16)9-15(12)21(19,20)17-14(11(2)3)10-18(4)5/h7-9,11,14,17H,6,10,16H2,1-5H3.
What are the key properties of 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide?
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-ethylbenzenesulfonamide is sourced from PubChem (CID 61476241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).