3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide

C15H26N2O2S — CID 61112417

IUPAC3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C15H26N2O2S/c1-5-6-7-11-17(12(2)3)20(18,19)15-10-8-9-14(16)13(15)4/h8-10,12H,5-7,11,16H2,1-4H3
InChIKeyDFCZLCKXPIVQHB-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.17
Rot. Bonds7

About 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide

3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 61112417) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
PubChem CID61112417
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cccc(N)c1C
InChIInChI=1S/C15H26N2O2S/c1-5-6-7-11-17(12(2)3)20(18,19)15-10-8-9-14(16)13(15)4/h8-10,12H,5-7,11,16H2,1-4H3
InChIKeyDFCZLCKXPIVQHB-UHFFFAOYSA-N
XLogP3.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-ethyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43265428
3-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43577683
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112413
3-amino-2-methyl-N-(2-methylpropyl)-N-pentan-3-ylbenzenesulfonamide
CID 79490206
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
3-amino-N,2-dimethyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114369
3-amino-N,2-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295489
2-amino-6-methyl-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43383281
3-(2-ethylhexylsulfonyl)-2-methylaniline
CID 81191238
3-amino-N-(5-hydroxypentyl)-N,2-dimethylbenzenesulfonamide
CID 107197542
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
4-amino-2-cyano-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112424

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide (CID 61112417) is 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide is CCCCCN(C(C)C)S(=O)(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is DFCZLCKXPIVQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-6-7-11-17(12(2)3)20(18,19)15-10-8-9-14(16)13(15)4/h8-10,12H,5-7,11,16H2,1-4H3.
What are the key properties of 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61112417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).