2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine

C12H25NO3S — CID 107756899

IUPAC2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine
SMILESCC1OCCC1S(=O)(=O)CCCNC(C)(C)C
InChIInChI=1S/C12H25NO3S/c1-10-11(6-8-16-10)17(14,15)9-5-7-13-12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyJFJYECTZAANQTE-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.36
Rot. Bonds5

About 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine

2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine (PubChem CID 107756899) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine
PubChem CID107756899
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine
SMILESCC1OCCC1S(=O)(=O)CCCNC(C)(C)C
InChIInChI=1S/C12H25NO3S/c1-10-11(6-8-16-10)17(14,15)9-5-7-13-12(2,3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyJFJYECTZAANQTE-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine (CID 107756899) is 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine is CC1OCCC1S(=O)(=O)CCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine?
The InChIKey is JFJYECTZAANQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10-11(6-8-16-10)17(14,15)9-5-7-13-12(2,3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine?
2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine has a molecular weight of 263.40 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-methyloxolan-3-yl)sulfonylpropyl]propan-2-amine is sourced from PubChem (CID 107756899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).