4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide

C15H22N2O2S — CID 63004010

IUPAC4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C15H22N2O2S/c1-13(2)5-4-12-17-20(18,19)15-9-7-14(8-10-15)6-3-11-16/h7-10,13,17H,4-5,11-12,16H2,1-2H3
InChIKeyWYLVPJIUZUIESM-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.71
Rot. Bonds6

About 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide

4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide (PubChem CID 63004010) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
PubChem CID63004010
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1ccc(C#CCN)cc1
InChIInChI=1S/C15H22N2O2S/c1-13(2)5-4-12-17-20(18,19)15-9-7-14(8-10-15)6-3-11-16/h7-10,13,17H,4-5,11-12,16H2,1-2H3
InChIKeyWYLVPJIUZUIESM-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640361
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
3-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanamide
CID 54926683
4-(3-aminoprop-1-ynyl)-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 60844645
4-(3-aminoprop-1-ynyl)-2,6-dichloro-N-(3-methylbutyl)benzenesulfonamide
CID 60845685
4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
CID 63002794
4-(3-aminoprop-1-ynyl)-N-benzylbenzenesulfonamide
CID 60845155
methyl 2-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanoate
CID 61498035
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461366
3-[4-(4-methylpentoxy)phenyl]prop-2-yn-1-amine
CID 83162144

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide (CID 63004010) is 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide is CC(C)CCCNS(=O)(=O)c1ccc(C#CCN)cc1.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide?
The InChIKey is WYLVPJIUZUIESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-13(2)5-4-12-17-20(18,19)15-9-7-14(8-10-15)6-3-11-16/h7-10,13,17H,4-5,11-12,16H2,1-2H3.
What are the key properties of 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide?
4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 63004010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).