N-prop-2-ynyloxetane-3-sulfonamide

C6H9NO3S — CID 130652698

IUPACN-prop-2-ynyloxetane-3-sulfonamide
SMILESC#CCNS(=O)(=O)C1COC1
InChIInChI=1S/C6H9NO3S/c1-2-3-7-11(8,9)6-4-10-5-6/h1,6-7H,3-5H2
InChIKeyBNTHGWNHZNBCEV-UHFFFAOYSA-N
MW175.21 g/mol
LogP-1.06
Rot. Bonds3

About N-prop-2-ynyloxetane-3-sulfonamide

N-prop-2-ynyloxetane-3-sulfonamide (PubChem CID 130652698) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is N-prop-2-ynyloxetane-3-sulfonamide.

Molecular Properties

Compound NameN-prop-2-ynyloxetane-3-sulfonamide
PubChem CID130652698
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC NameN-prop-2-ynyloxetane-3-sulfonamide
SMILESC#CCNS(=O)(=O)C1COC1
InChIInChI=1S/C6H9NO3S/c1-2-3-7-11(8,9)6-4-10-5-6/h1,6-7H,3-5H2
InChIKeyBNTHGWNHZNBCEV-UHFFFAOYSA-N
XLogP-1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-1.06
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

N-methyloxetane-3-sulfonamide
CID 97617711
N-(2-fluoroethyl)oxetane-3-sulfonamide
CID 128223109
2-methoxy-N-prop-2-ynylethanesulfonamide
CID 61608996
N-prop-2-ynyloxolane-3-sulfonamide
CID 71604808
N-propyloxetane-3-sulfonamide
CID 131225974
2-ethoxy-N-prop-2-ynylethanesulfonamide
CID 62734065
3-methoxy-N-prop-2-ynylpropane-1-sulfonamide
CID 63288268
N-but-3-ynyl-3-methoxypropane-1-sulfonamide
CID 64084630
N-but-3-ynyl-2-methoxyethanesulfonamide
CID 64084865
2-hydroxy-N-prop-2-ynylethanesulfonamide
CID 79588529
(3R)-N-prop-2-ynyloxolane-3-sulfonamide
CID 124646259
(3S)-N-prop-2-ynyloxolane-3-sulfonamide
CID 124646260

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyloxetane-3-sulfonamide?
The IUPAC name of N-prop-2-ynyloxetane-3-sulfonamide (CID 130652698) is N-prop-2-ynyloxetane-3-sulfonamide.
What is the SMILES notation for N-prop-2-ynyloxetane-3-sulfonamide?
The canonical SMILES for N-prop-2-ynyloxetane-3-sulfonamide is C#CCNS(=O)(=O)C1COC1.
What is the InChIKey of N-prop-2-ynyloxetane-3-sulfonamide?
The InChIKey is BNTHGWNHZNBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-2-3-7-11(8,9)6-4-10-5-6/h1,6-7H,3-5H2.
What are the key properties of N-prop-2-ynyloxetane-3-sulfonamide?
N-prop-2-ynyloxetane-3-sulfonamide has a molecular weight of 175.21 g/mol, XLogP of -1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyloxetane-3-sulfonamide is sourced from PubChem (CID 130652698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).