4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine

C10H21NO3S — CID 107758142

IUPAC4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine
SMILESCC(N)CC(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C10H21NO3S/c1-7(11)6-8(2)15(12,13)10-4-5-14-9(10)3/h7-10H,4-6,11H2,1-3H3
InChIKeyNRTYJOCGRQAHDF-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.70
Rot. Bonds4

About 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine

4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine (PubChem CID 107758142) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine.

Molecular Properties

Compound Name4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine
PubChem CID107758142
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine
SMILESCC(N)CC(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C10H21NO3S/c1-7(11)6-8(2)15(12,13)10-4-5-14-9(10)3/h7-10H,4-6,11H2,1-3H3
InChIKeyNRTYJOCGRQAHDF-UHFFFAOYSA-N
XLogP0.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine?
The IUPAC name of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine (CID 107758142) is 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine.
What is the SMILES notation for 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine?
The canonical SMILES for 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine is CC(N)CC(C)S(=O)(=O)C1CCOC1C.
What is the InChIKey of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine?
The InChIKey is NRTYJOCGRQAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-7(11)6-8(2)15(12,13)10-4-5-14-9(10)3/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine?
4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyloxolan-3-yl)sulfonylpentan-2-amine is sourced from PubChem (CID 107758142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).