5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide

C14H19N3O3S — CID 106240784

IUPAC5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide
SMILESNCC#Cc1ccccc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C14H19N3O3S/c15-10-5-7-12-6-1-2-8-13(12)21(19,20)17-11-4-3-9-14(16)18/h1-2,6,8,17H,3-4,9-11,15H2,(H2,16,18)
InChIKeyHHABVMPPZRDZNV-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.07
Rot. Bonds7

About 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide

5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide (PubChem CID 106240784) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide
PubChem CID106240784
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide
SMILESNCC#Cc1ccccc1S(=O)(=O)NCCCCC(N)=O
InChIInChI=1S/C14H19N3O3S/c15-10-5-7-12-6-1-2-8-13(12)21(19,20)17-11-4-3-9-14(16)18/h1-2,6,8,17H,3-4,9-11,15H2,(H2,16,18)
InChIKeyHHABVMPPZRDZNV-UHFFFAOYSA-N
XLogP-0.07
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863801
4-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863085
ethyl 2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]acetate
CID 60845011
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
2-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-cyclopropylacetamide
CID 60844819
2-(3-hydroxyprop-1-ynyl)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 60844580
5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240785
5-[(2-cyano-3-fluorophenyl)sulfonylamino]pentanamide
CID 103916474
3-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanamide
CID 54926683
2-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 60845512
2-(3-aminoprop-1-ynyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64525744
2-[[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]sulfonylamino]acetamide
CID 60843766

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide?
The IUPAC name of 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide (CID 106240784) is 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide.
What is the SMILES notation for 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide?
The canonical SMILES for 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide is NCC#Cc1ccccc1S(=O)(=O)NCCCCC(N)=O.
What is the InChIKey of 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide?
The InChIKey is HHABVMPPZRDZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-10-5-7-12-6-1-2-8-13(12)21(19,20)17-11-4-3-9-14(16)18/h1-2,6,8,17H,3-4,9-11,15H2,(H2,16,18).
What are the key properties of 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide?
5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide has a molecular weight of 309.39 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide is sourced from PubChem (CID 106240784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).