3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine

C14H21NO3S — CID 107766551

IUPAC3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine
SMILESCC1OCCC1S(=O)(=O)C(CCN)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-11-13(8-10-18-11)19(16,17)14(7-9-15)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3
InChIKeySGIZCCSANJFQAT-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.67
Rot. Bonds5

About 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine

3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine (PubChem CID 107766551) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine
PubChem CID107766551
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine
SMILESCC1OCCC1S(=O)(=O)C(CCN)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-11-13(8-10-18-11)19(16,17)14(7-9-15)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3
InChIKeySGIZCCSANJFQAT-UHFFFAOYSA-N
XLogP1.67
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.67
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)sulfonyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine (CID 107766551) is 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine is CC1OCCC1S(=O)(=O)C(CCN)c1ccccc1.
What is the InChIKey of 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine?
The InChIKey is SGIZCCSANJFQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11-13(8-10-18-11)19(16,17)14(7-9-15)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10,15H2,1H3.
What are the key properties of 3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine?
3-(2-methyloxolan-3-yl)sulfonyl-3-phenylpropan-1-amine has a molecular weight of 283.39 g/mol, XLogP of 1.67, 5 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)sulfonyl-3-phenylpropan-1-amine is sourced from PubChem (CID 107766551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).