N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide

C15H22N2O2S — CID 81287349

IUPACN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide
SMILESCCc1cc(C#CCN)ccc1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-13-11-12(7-6-10-16)8-9-14(13)17-20(18,19)15(2,3)4/h8-9,11,17H,5,10,16H2,1-4H3
InChIKeyXNKDBMPDOMPKBD-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.10
Rot. Bonds3

About N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide

N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide (PubChem CID 81287349) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide
PubChem CID81287349
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide
SMILESCCc1cc(C#CCN)ccc1NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-5-13-11-12(7-6-10-16)8-9-14(13)17-20(18,19)15(2,3)4/h8-9,11,17H,5,10,16H2,1-4H3
InChIKeyXNKDBMPDOMPKBD-UHFFFAOYSA-N
XLogP2.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-methylpropane-2-sulfonamide
CID 63687882
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-1-methylsulfonylmethanesulfonamide
CID 82834855
4-(3-aminoprop-1-ynyl)-2-ethyl-N-(2-methoxyethylsulfamoyl)aniline
CID 114816553
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropanamide
CID 81292122
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylbutanamide
CID 81292346
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-2-methylpropane-2-sulfonamide
CID 63688636
1-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-propylurea
CID 81287127
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]pentanamide
CID 81292452
3-[3-ethyl-4-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812002
5-(3-aminoprop-1-ynyl)-N-(tert-butylsulfamoyl)-2-methylaniline
CID 114812083
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-3-methoxypropanamide
CID 81292865
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-chlorofuran-3-carboxamide
CID 106688777

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide (CID 81287349) is N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide is CCc1cc(C#CCN)ccc1NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is XNKDBMPDOMPKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-13-11-12(7-6-10-16)8-9-14(13)17-20(18,19)15(2,3)4/h8-9,11,17H,5,10,16H2,1-4H3.
What are the key properties of N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide?
N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-aminoprop-1-ynyl)-2-ethylphenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 81287349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).