3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

C14H29NO3S — CID 115848550

IUPAC3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H29NO3S/c1-6-8-15-13(7-9-19(5,16)17)14-10(2)11(3)18-12(14)4/h10-15H,6-9H2,1-5H3
InChIKeyRUSXPQZHCORVLT-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.85
Rot. Bonds7

About 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine

3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (PubChem CID 115848550) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
PubChem CID115848550
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(CCS(C)(=O)=O)C1C(C)OC(C)C1C
InChIInChI=1S/C14H29NO3S/c1-6-8-15-13(7-9-19(5,16)17)14-10(2)11(3)18-12(14)4/h10-15H,6-9H2,1-5H3
InChIKeyRUSXPQZHCORVLT-UHFFFAOYSA-N
XLogP1.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine (CID 115848550) is 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is CCCNC(CCS(C)(=O)=O)C1C(C)OC(C)C1C.
What is the InChIKey of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
The InChIKey is RUSXPQZHCORVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-6-8-15-13(7-9-19(5,16)17)14-10(2)11(3)18-12(14)4/h10-15H,6-9H2,1-5H3.
What are the key properties of 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine?
3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 115848550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).