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

C13H18N4O3S — CID 106240785

IUPAC5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
SMILESNCC#Cc1cncc(S(=O)(=O)NCCCCC(N)=O)c1
InChIInChI=1S/C13H18N4O3S/c14-6-3-4-11-8-12(10-16-9-11)21(19,20)17-7-2-1-5-13(15)18/h8-10,17H,1-2,5-7,14H2,(H2,15,18)
InChIKeyJBBUXICETDTYTI-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.67
Rot. Bonds7

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

5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide (PubChem CID 106240785) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
PubChem CID106240785
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide
SMILESNCC#Cc1cncc(S(=O)(=O)NCCCCC(N)=O)c1
InChIInChI=1S/C13H18N4O3S/c14-6-3-4-11-8-12(10-16-9-11)21(19,20)17-7-2-1-5-13(15)18/h8-10,17H,1-2,5-7,14H2,(H2,15,18)
InChIKeyJBBUXICETDTYTI-UHFFFAOYSA-N
XLogP-0.67
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-sulfonamide
CID 104765008
5-(3-aminoprop-1-ynyl)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640359
3-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanamide
CID 54926683
5-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]pentanamide
CID 106240784
5-(3-aminoprop-1-ynyl)-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107415019
5-[(2-aminopyrimidin-5-yl)sulfonylamino]pentanamide
CID 106240972
4-[[4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863260
3-[[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106098233
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanamide
CID 64608732
4-[[2-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863801
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 65481170
5-[(4-hydroxyphenyl)sulfonylamino]pentanamide
CID 114162417

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide?
The IUPAC name of 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide (CID 106240785) is 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide.
What is the SMILES notation for 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide?
The canonical SMILES for 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide is NCC#Cc1cncc(S(=O)(=O)NCCCCC(N)=O)c1.
What is the InChIKey of 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide?
The InChIKey is JBBUXICETDTYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-6-3-4-11-8-12(10-16-9-11)21(19,20)17-7-2-1-5-13(15)18/h8-10,17H,1-2,5-7,14H2,(H2,15,18).
What are the key properties of 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide?
5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide has a molecular weight of 310.38 g/mol, XLogP of -0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-aminoprop-1-ynyl)-3-pyridinyl]sulfonylamino]pentanamide is sourced from PubChem (CID 106240785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).