N-hept-3-ynylmethanesulfonamide

C8H15NO2S — CID 132500860

IUPACN-hept-3-ynylmethanesulfonamide
SMILESCCCC#CCCNS(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h9H,3-4,7-8H2,1-2H3
InChIKeyAAGZNQTWKXECMX-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.73
Rot. Bonds4

About N-hept-3-ynylmethanesulfonamide

N-hept-3-ynylmethanesulfonamide (PubChem CID 132500860) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-hept-3-ynylmethanesulfonamide.

Molecular Properties

Compound NameN-hept-3-ynylmethanesulfonamide
PubChem CID132500860
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-hept-3-ynylmethanesulfonamide
SMILESCCCC#CCCNS(C)(=O)=O
InChIInChI=1S/C8H15NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h9H,3-4,7-8H2,1-2H3
InChIKeyAAGZNQTWKXECMX-UHFFFAOYSA-N
XLogP0.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(but-3-yn-1-yl)methanesulfonamide
CID 56765734
N-propylmethanesulfonamide
CID 235967
N-(pent-4-yn-1-yl)methanesulfonamide
CID 103698107
8-fluoro-N-propylocta-1,3,5,7-tetrayne-1-sulfonamide
CID 20761076
1,1-difluoro-N-pent-3-ynylmethanesulfonamide
CID 116645269
N-(but-3-yn-1-yl)propane-1-sulfonamide
CID 56765735
N-(but-3-yn-1-yl)propane-2-sulfonamide
CID 56765740
N-(4,4-dimethylpent-2-ynyl)methanesulfonamide
CID 57940227
CID 58603049
CID 58603049
N-hex-5-yn-1-ylmethanesulfonamide
CID 77231298
N-(3-aminoprop-1-ynyl)methanesulfonamide
CID 87787312
N-but-2-ynylmethanesulfonamide
CID 116027644

Frequently Asked Questions

What is the IUPAC name of N-hept-3-ynylmethanesulfonamide?
The IUPAC name of N-hept-3-ynylmethanesulfonamide (CID 132500860) is N-hept-3-ynylmethanesulfonamide.
What is the SMILES notation for N-hept-3-ynylmethanesulfonamide?
The canonical SMILES for N-hept-3-ynylmethanesulfonamide is CCCC#CCCNS(C)(=O)=O.
What is the InChIKey of N-hept-3-ynylmethanesulfonamide?
The InChIKey is AAGZNQTWKXECMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-4-5-6-7-8-9-12(2,10)11/h9H,3-4,7-8H2,1-2H3.
What are the key properties of N-hept-3-ynylmethanesulfonamide?
N-hept-3-ynylmethanesulfonamide has a molecular weight of 189.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-3-ynylmethanesulfonamide is sourced from PubChem (CID 132500860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).