3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide

C9H17NO3S — CID 115662705

IUPAC3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)CCCOC
InChIInChI=1S/C9H17NO3S/c1-4-6-9(2)10-14(11,12)8-5-7-13-3/h1,9-10H,5-8H2,2-3H3
InChIKeyOAYWGRYUIFFRDS-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.35
Rot. Bonds7

About 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide

3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide (PubChem CID 115662705) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
PubChem CID115662705
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
SMILESC#CCC(C)NS(=O)(=O)CCCOC
InChIInChI=1S/C9H17NO3S/c1-4-6-9(2)10-14(11,12)8-5-7-13-3/h1,9-10H,5-8H2,2-3H3
InChIKeyOAYWGRYUIFFRDS-UHFFFAOYSA-N
XLogP0.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
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

2-chloro-N-pent-4-yn-2-ylethanesulfonamide
CID 107652458
N'-hydroxy-3-(3-methoxypropylsulfonylamino)butanimidamide
CID 76994145
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
3-amino-N-(1-methoxypropan-2-yl)propane-1-sulfonamide
CID 60910222
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
CID 114294443
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-methoxypropane-1-sulfonamide
CID 106356510
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096
4-amino-N-(1-methoxypropan-2-yl)butane-1-sulfonamide
CID 61456565
N-(3-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290049

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide?
The IUPAC name of 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide (CID 115662705) is 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide?
The canonical SMILES for 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide is C#CCC(C)NS(=O)(=O)CCCOC.
What is the InChIKey of 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide?
The InChIKey is OAYWGRYUIFFRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-4-6-9(2)10-14(11,12)8-5-7-13-3/h1,9-10H,5-8H2,2-3H3.
What are the key properties of 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide?
3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide has a molecular weight of 219.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 115662705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).