5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide

C15H20N2O2S — CID 60846231

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C15H20N2O2S/c1-3-17(14-8-9-14)20(18,19)15-11-13(5-4-10-16)7-6-12(15)2/h6-7,11,14H,3,8-10,16H2,1-2H3
InChIKeyWEXDYFBBWUPVFV-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.48
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide

5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 60846231) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide
PubChem CID60846231
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(C1CC1)S(=O)(=O)c1cc(C#CCN)ccc1C
InChIInChI=1S/C15H20N2O2S/c1-3-17(14-8-9-14)20(18,19)15-11-13(5-4-10-16)7-6-12(15)2/h6-7,11,14H,3,8-10,16H2,1-2H3
InChIKeyWEXDYFBBWUPVFV-UHFFFAOYSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-((2,5-dimethylphenyl)sulfonyl)-
CID 2384617
N-cyclopropyl-N-ethyl-2-fluoro-5-methylbenzenesulfonamide
CID 45887731
(3R*,4S*)-1-[(2,5-dimethylphenyl)sulfonyl]-4-propylpyrrolidin-3-amine
CID 72845583
N-ethyl-2,5-dimethylbenzenesulfonamide
CID 16376368
N-[3-(dimethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 7777687
N-(1-ethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17456820
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 17520672
N-[(4S)-4-(diethylamino)-5-methylhex-2-ynyl]-4-methylbenzenesulfonamide
CID 146165335
N-(3-aminopropyl)-N-cyclopropyl-2-(trifluoromethyl)benzenesulfonamide
CID 43136978
N-(3-aminopropyl)-N-cyclopropyl-5-fluoro-2-methylbenzenesulfonamide
CID 43167165
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzenesulfonamide
CID 43319450
N-(3-aminopropyl)-4-fluoro-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 43344095

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide (CID 60846231) is 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide is CCN(C1CC1)S(=O)(=O)c1cc(C#CCN)ccc1C.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is WEXDYFBBWUPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-3-17(14-8-9-14)20(18,19)15-11-13(5-4-10-16)7-6-12(15)2/h6-7,11,14H,3,8-10,16H2,1-2H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide?
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 60846231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).