1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine

C8H17NO3S — CID 82239470

IUPAC1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine
SMILESCS(=O)(=O)CC(N)CC1CCCO1
InChIInChI=1S/C8H17NO3S/c1-13(10,11)6-7(9)5-8-3-2-4-12-8/h7-8H,2-6,9H2,1H3
InChIKeyDFMQFXDBPDSVDD-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.07
Rot. Bonds4

About 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine

1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 82239470) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID82239470
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine
SMILESCS(=O)(=O)CC(N)CC1CCCO1
InChIInChI=1S/C8H17NO3S/c1-13(10,11)6-7(9)5-8-3-2-4-12-8/h7-8H,2-6,9H2,1H3
InChIKeyDFMQFXDBPDSVDD-UHFFFAOYSA-N
XLogP-0.07
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine (CID 82239470) is 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine is CS(=O)(=O)CC(N)CC1CCCO1.
What is the InChIKey of 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is DFMQFXDBPDSVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-13(10,11)6-7(9)5-8-3-2-4-12-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine?
1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 207.29 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 82239470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).