1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide

C8H13NO3S — CID 62734253

IUPAC1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H13NO3S/c1-2-5-9-13(10,11)7-8-4-3-6-12-8/h1,8-9H,3-7H2
InChIKeyOOUDTLJWHIJRHU-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.28
Rot. Bonds4

About 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide

1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide (PubChem CID 62734253) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide
PubChem CID62734253
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide
SMILESC#CCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H13NO3S/c1-2-5-9-13(10,11)7-8-4-3-6-12-8/h1,8-9H,3-7H2
InChIKeyOOUDTLJWHIJRHU-UHFFFAOYSA-N
XLogP-0.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide (CID 62734253) is 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide is C#CCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide?
The InChIKey is OOUDTLJWHIJRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-5-9-13(10,11)7-8-4-3-6-12-8/h1,8-9H,3-7H2.
What are the key properties of 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide?
1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide has a molecular weight of 203.26 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-prop-2-ynylmethanesulfonamide is sourced from PubChem (CID 62734253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).