5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide

C16H28N2O2S — CID 61112413

IUPAC5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C16H28N2O2S/c1-6-7-8-9-18(12(2)3)21(19,20)16-11-15(17)10-13(4)14(16)5/h10-12H,6-9,17H2,1-5H3
InChIKeyLTDMWSTXCTUOSZ-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.47
Rot. Bonds7

About 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide

5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 61112413) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
PubChem CID61112413
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCCCN(C(C)C)S(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C16H28N2O2S/c1-6-7-8-9-18(12(2)3)21(19,20)16-11-15(17)10-13(4)14(16)5/h10-12H,6-9,17H2,1-5H3
InChIKeyLTDMWSTXCTUOSZ-UHFFFAOYSA-N
XLogP3.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.47
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-2-methyl-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112417
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109
methyl 2-[(5-amino-2,3-dimethylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 61106640
2-amino-4-chloro-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63401799
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
4-amino-2-cyano-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 61112424
5-amino-N,2,3-trimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271659
5-amino-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 82948618
5-bromo-4-[pentyl(propan-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 62831095
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
4-amino-2-chloro-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269143

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide (CID 61112413) is 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide is CCCCCN(C(C)C)S(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is LTDMWSTXCTUOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-7-8-9-18(12(2)3)21(19,20)16-11-15(17)10-13(4)14(16)5/h10-12H,6-9,17H2,1-5H3.
What are the key properties of 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide?
5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N-pentyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61112413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).