N-prop-2-ynyloxolane-3-sulfonamide

C7H11NO3S — CID 71604808

IUPACN-prop-2-ynyloxolane-3-sulfonamide
SMILESC#CCNS(=O)(=O)C1CCOC1
InChIInChI=1S/C7H11NO3S/c1-2-4-8-12(9,10)7-3-5-11-6-7/h1,7-8H,3-6H2
InChIKeyHTOYHOWHSSPRAT-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.67
Rot. Bonds3

About N-prop-2-ynyloxolane-3-sulfonamide

N-prop-2-ynyloxolane-3-sulfonamide (PubChem CID 71604808) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-prop-2-ynyloxolane-3-sulfonamide.

Molecular Properties

Compound NameN-prop-2-ynyloxolane-3-sulfonamide
PubChem CID71604808
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC NameN-prop-2-ynyloxolane-3-sulfonamide
SMILESC#CCNS(=O)(=O)C1CCOC1
InChIInChI=1S/C7H11NO3S/c1-2-4-8-12(9,10)7-3-5-11-6-7/h1,7-8H,3-6H2
InChIKeyHTOYHOWHSSPRAT-UHFFFAOYSA-N
XLogP-0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-methyloxolane-3-sulfonamide
CID 97167960
(3S)-N-methyloxolane-3-sulfonamide
CID 97167961
2-methoxy-N-prop-2-ynylethanesulfonamide
CID 61608996
N-prop-2-ynyloxetane-3-sulfonamide
CID 130652698
N-methyloxolane-2-sulfonamide
CID 57147966
2-ethoxy-N-prop-2-ynylethanesulfonamide
CID 62734065
1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide
CID 62734253
3-methoxy-N-prop-2-ynylpropane-1-sulfonamide
CID 63288268
N-but-3-ynyl-1-(oxolan-2-yl)methanesulfonamide
CID 64087358
N-ethyltetrahydrofuran-3-sulfonamide
CID 71635445
N-methyltetrahydrofuran-3-sulfonamide
CID 71648166
(3R)-N-ethyloxolane-3-sulfonamide
CID 97177626

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyloxolane-3-sulfonamide?
The IUPAC name of N-prop-2-ynyloxolane-3-sulfonamide (CID 71604808) is N-prop-2-ynyloxolane-3-sulfonamide.
What is the SMILES notation for N-prop-2-ynyloxolane-3-sulfonamide?
The canonical SMILES for N-prop-2-ynyloxolane-3-sulfonamide is C#CCNS(=O)(=O)C1CCOC1.
What is the InChIKey of N-prop-2-ynyloxolane-3-sulfonamide?
The InChIKey is HTOYHOWHSSPRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-2-4-8-12(9,10)7-3-5-11-6-7/h1,7-8H,3-6H2.
What are the key properties of N-prop-2-ynyloxolane-3-sulfonamide?
N-prop-2-ynyloxolane-3-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyloxolane-3-sulfonamide is sourced from PubChem (CID 71604808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).