N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide

C10H20N2O3S — CID 62822796

IUPACN-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCC1CCOC1
InChIInChI=1S/C10H20N2O3S/c13-16(14,8-10-2-1-4-11-10)12-6-9-3-5-15-7-9/h9-12H,1-8H2
InChIKeyYOQBGPIDJCDHBF-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.31
Rot. Bonds5

About N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 62822796) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID62822796
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESO=S(=O)(CC1CCCN1)NCC1CCOC1
InChIInChI=1S/C10H20N2O3S/c13-16(14,8-10-2-1-4-11-10)12-6-9-3-5-15-7-9/h9-12H,1-8H2
InChIKeyYOQBGPIDJCDHBF-UHFFFAOYSA-N
XLogP-0.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 62822796) is N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide is O=S(=O)(CC1CCCN1)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is YOQBGPIDJCDHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-16(14,8-10-2-1-4-11-10)12-6-9-3-5-15-7-9/h9-12H,1-8H2.
What are the key properties of N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 62822796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).