1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine

C9H19NO3S — CID 81188285

IUPAC1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)CCC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-8(10)7-14(11,12)6-4-9-3-2-5-13-9/h8-9H,2-7,10H2,1H3
InChIKeyDBELXQUNCASXLG-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.32
Rot. Bonds5

About 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine

1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine (PubChem CID 81188285) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
PubChem CID81188285
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)CCC1CCCO1
InChIInChI=1S/C9H19NO3S/c1-8(10)7-14(11,12)6-4-9-3-2-5-13-9/h8-9H,2-7,10H2,1H3
InChIKeyDBELXQUNCASXLG-UHFFFAOYSA-N
XLogP0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
2-(oxolan-2-yl)ethanesulfonyl chloride
CID 65158435
2-[(2S)-oxolan-2-yl]ethanesulfonyl chloride
CID 98112256
2-(2-tert-butylsulfonylethyl)oxolane
CID 59159510
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
2-methyl-3-(oxolan-2-ylmethylsulfonyl)propan-1-amine
CID 81202083
3-[3-(oxolan-2-yl)propylsulfonyl]butanoic acid
CID 66113895
4-methyl-7-(oxolan-2-yl)heptan-2-amine
CID 65164978
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-methoxy-3-(oxolan-2-ylmethylsulfonyl)propan-2-amine
CID 107508896

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine?
The IUPAC name of 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine (CID 81188285) is 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine is CC(N)CS(=O)(=O)CCC1CCCO1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine?
The InChIKey is DBELXQUNCASXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-8(10)7-14(11,12)6-4-9-3-2-5-13-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine?
1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine has a molecular weight of 221.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethylsulfonyl]propan-2-amine is sourced from PubChem (CID 81188285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).