3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine

C8H17NO3S — CID 58684868

IUPAC3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine
SMILESCC1OCCC1S(=O)(=O)CCCN
InChIInChI=1S/C8H17NO3S/c1-7-8(3-5-12-7)13(10,11)6-2-4-9/h7-8H,2-6,9H2,1H3
InChIKeyKVSMDEQQUUSBQS-UHFFFAOYSA-N
MW207.29 g/mol
LogP-0.07
Rot. Bonds4

About 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine

3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine (PubChem CID 58684868) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine
PubChem CID58684868
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine
SMILESCC1OCCC1S(=O)(=O)CCCN
InChIInChI=1S/C8H17NO3S/c1-7-8(3-5-12-7)13(10,11)6-2-4-9/h7-8H,2-6,9H2,1H3
InChIKeyKVSMDEQQUUSBQS-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 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine (CID 58684868) is 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine is CC1OCCC1S(=O)(=O)CCCN.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
The InChIKey is KVSMDEQQUUSBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-8(3-5-12-7)13(10,11)6-2-4-9/h7-8H,2-6,9H2,1H3.
What are the key properties of 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine?
3-(2-methyloxolan-3-yl)sulfonylpropan-1-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 3-(2-methyloxolan-3-yl)sulfonylpropan-1-amine is sourced from PubChem (CID 58684868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).