1-(oxolan-2-yl)-N-propylmethanesulfonamide

C8H17NO3S — CID 62732937

IUPAC1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H17NO3S/c1-2-5-9-13(10,11)7-8-4-3-6-12-8/h8-9H,2-7H2,1H3
InChIKeyKSEATWJMNBOYAH-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds5

About 1-(oxolan-2-yl)-N-propylmethanesulfonamide

1-(oxolan-2-yl)-N-propylmethanesulfonamide (PubChem CID 62732937) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propylmethanesulfonamide
PubChem CID62732937
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-(oxolan-2-yl)-N-propylmethanesulfonamide
SMILESCCCNS(=O)(=O)CC1CCCO1
InChIInChI=1S/C8H17NO3S/c1-2-5-9-13(10,11)7-8-4-3-6-12-8/h8-9H,2-7H2,1H3
InChIKeyKSEATWJMNBOYAH-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The IUPAC name of 1-(oxolan-2-yl)-N-propylmethanesulfonamide (CID 62732937) is 1-(oxolan-2-yl)-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The canonical SMILES for 1-(oxolan-2-yl)-N-propylmethanesulfonamide is CCCNS(=O)(=O)CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-propylmethanesulfonamide?
The InChIKey is KSEATWJMNBOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-5-9-13(10,11)7-8-4-3-6-12-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-(oxolan-2-yl)-N-propylmethanesulfonamide?
1-(oxolan-2-yl)-N-propylmethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 5 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-propylmethanesulfonamide is sourced from PubChem (CID 62732937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).