N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine

C10H21NO3S — CID 63195699

IUPACN-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
SMILESCNCC1(CCCS(C)(=O)=O)CCOC1
InChIInChI=1S/C10H21NO3S/c1-11-8-10(5-6-14-9-10)4-3-7-15(2,12)13/h11H,3-9H2,1-2H3
InChIKeyDHKHKAZXMYFWFC-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.44
Rot. Bonds6

About N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine

N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine (PubChem CID 63195699) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
PubChem CID63195699
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine
SMILESCNCC1(CCCS(C)(=O)=O)CCOC1
InChIInChI=1S/C10H21NO3S/c1-11-8-10(5-6-14-9-10)4-3-7-15(2,12)13/h11H,3-9H2,1-2H3
InChIKeyDHKHKAZXMYFWFC-UHFFFAOYSA-N
XLogP0.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine (CID 63195699) is N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine is CNCC1(CCCS(C)(=O)=O)CCOC1.
What is the InChIKey of N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
The InChIKey is DHKHKAZXMYFWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-11-8-10(5-6-14-9-10)4-3-7-15(2,12)13/h11H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine?
N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(3-methylsulfonylpropyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 63195699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).