2-(oxolan-2-ylmethylsulfonyl)ethanamine

C7H15NO3S — CID 58684690

IUPAC2-(oxolan-2-ylmethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H15NO3S/c8-3-5-12(9,10)6-7-2-1-4-11-7/h7H,1-6,8H2
InChIKeyDJNFRVAZWMSVRS-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.46
Rot. Bonds4

About 2-(oxolan-2-ylmethylsulfonyl)ethanamine

2-(oxolan-2-ylmethylsulfonyl)ethanamine (PubChem CID 58684690) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonyl)ethanamine
PubChem CID58684690
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-(oxolan-2-ylmethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC1CCCO1
InChIInChI=1S/C7H15NO3S/c8-3-5-12(9,10)6-7-2-1-4-11-7/h7H,1-6,8H2
InChIKeyDJNFRVAZWMSVRS-UHFFFAOYSA-N
XLogP-0.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)ethanamine?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonyl)ethanamine (CID 58684690) is 2-(oxolan-2-ylmethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonyl)ethanamine?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonyl)ethanamine is NCCS(=O)(=O)CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonyl)ethanamine?
The InChIKey is DJNFRVAZWMSVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c8-3-5-12(9,10)6-7-2-1-4-11-7/h7H,1-6,8H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfonyl)ethanamine?
2-(oxolan-2-ylmethylsulfonyl)ethanamine has a molecular weight of 193.27 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonyl)ethanamine is sourced from PubChem (CID 58684690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).