N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine

C10H21NO3S — CID 107758086

IUPACN-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C10H21NO3S/c1-7(11-4)9(3)15(12,13)10-5-6-14-8(10)2/h7-11H,5-6H2,1-4H3
InChIKeyRFDBPHPWCJGTJC-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.57
Rot. Bonds4

About N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine

N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine (PubChem CID 107758086) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
PubChem CID107758086
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine
SMILESCNC(C)C(C)S(=O)(=O)C1CCOC1C
InChIInChI=1S/C10H21NO3S/c1-7(11-4)9(3)15(12,13)10-5-6-14-8(10)2/h7-11H,5-6H2,1-4H3
InChIKeyRFDBPHPWCJGTJC-UHFFFAOYSA-N
XLogP0.57
TPSA55.40 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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine?
The IUPAC name of N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine (CID 107758086) is N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine.
What is the SMILES notation for N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine?
The canonical SMILES for N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine is CNC(C)C(C)S(=O)(=O)C1CCOC1C.
What is the InChIKey of N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine?
The InChIKey is RFDBPHPWCJGTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-7(11-4)9(3)15(12,13)10-5-6-14-8(10)2/h7-11H,5-6H2,1-4H3.
What are the key properties of N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine?
N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine has a molecular weight of 235.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methyloxolan-3-yl)sulfonylbutan-2-amine is sourced from PubChem (CID 107758086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).