1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine

C9H19NO2S — CID 105049538

IUPAC1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(C1CCC1)C(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-7(13(3,11)12)9(10-2)8-5-4-6-8/h7-10H,4-6H2,1-3H3
InChIKeyVRLBRVFKBBWRPR-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.81
Rot. Bonds4

About 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine

1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 105049538) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine
PubChem CID105049538
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine
SMILESCNC(C1CCC1)C(C)S(C)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-7(13(3,11)12)9(10-2)8-5-4-6-8/h7-10H,4-6H2,1-3H3
InChIKeyVRLBRVFKBBWRPR-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine (CID 105049538) is 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine is CNC(C1CCC1)C(C)S(C)(=O)=O.
What is the InChIKey of 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is VRLBRVFKBBWRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(13(3,11)12)9(10-2)8-5-4-6-8/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine?
1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 205.32 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 105049538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).