[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine

C10H20N2O2S2 — CID 81004713

IUPAC[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1C1CCC1CN
InChIInChI=1S/C10H20N2O2S2/c1-16(13,14)10-7-15-5-4-12(10)9-3-2-8(9)6-11/h8-10H,2-7,11H2,1H3
InChIKeyUMUSBPJNMZSITB-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.14
Rot. Bonds3

About [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine

[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine (PubChem CID 81004713) has the molecular formula C10H20N2O2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine
PubChem CID81004713
Molecular FormulaC10H20N2O2S2
Molecular Weight264.42 g/mol
Exact Mass264.10
IUPAC Name[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine
SMILESCS(=O)(=O)C1CSCCN1C1CCC1CN
InChIInChI=1S/C10H20N2O2S2/c1-16(13,14)10-7-15-5-4-12(10)9-3-2-8(9)6-11/h8-10H,2-7,11H2,1H3
InChIKeyUMUSBPJNMZSITB-UHFFFAOYSA-N
XLogP0.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine?
The IUPAC name of [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine (CID 81004713) is [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine?
The canonical SMILES for [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine is CS(=O)(=O)C1CSCCN1C1CCC1CN.
What is the InChIKey of [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine?
The InChIKey is UMUSBPJNMZSITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S2/c1-16(13,14)10-7-15-5-4-12(10)9-3-2-8(9)6-11/h8-10H,2-7,11H2,1H3.
What are the key properties of [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine?
[2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfonylthiomorpholin-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 81004713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).