3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide

C15H24N2O2S — CID 106505416

IUPAC3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC(C)C2CCC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-9-8-14(16)11(3)15(10(9)2)20(18,19)17-12(4)13-6-5-7-13/h8,12-13,17H,5-7,16H2,1-4H3
InChIKeyGALBLTIFJOPEIP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide

3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide (PubChem CID 106505416) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
PubChem CID106505416
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC(C)C2CCC2)c1C
InChIInChI=1S/C15H24N2O2S/c1-9-8-14(16)11(3)15(10(9)2)20(18,19)17-12(4)13-6-5-7-13/h8,12-13,17H,5-7,16H2,1-4H3
InChIKeyGALBLTIFJOPEIP-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.66
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

3-amino-N-cyclopropyl-2,5,6-trimethylbenzenesulfonamide
CID 106503553
3-amino-2,5,6-trimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106503730
2-amino-N-(1-cyclohexylethyl)-6-methylbenzenesulfonamide
CID 62407142
3-amino-N-(1,3-dihydroxypropan-2-yl)-2,5,6-trimethylbenzenesulfonamide
CID 106505014
2,3,5,6-tetramethyl-N-propan-2-ylbenzenesulfonamide
CID 6463266
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,5,6-trimethylbenzenesulfonamide
CID 107213471
3-amino-5-chloro-N-(1-cyclopropylethyl)-4-methylbenzenesulfonamide
CID 43533143
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
1-(3-amino-2,5,6-trimethylphenyl)sulfonyl-3-propan-2-ylurea
CID 106505453
3-amino-N-cyclohex-3-en-1-yl-2,5,6-trimethylbenzenesulfonamide
CID 106505035
2,6-dichloro-N-[(1S)-1-cyclobutylethyl]benzenesulfonamide
CID 97327429
3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 106504779

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide (CID 106505416) is 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC(C)C2CCC2)c1C.
What is the InChIKey of 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide?
The InChIKey is GALBLTIFJOPEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-9-8-14(16)11(3)15(10(9)2)20(18,19)17-12(4)13-6-5-7-13/h8,12-13,17H,5-7,16H2,1-4H3.
What are the key properties of 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide?
3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclobutylethyl)-2,5,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 106505416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).