(3-methylsulfonylcyclobutyl)methanamine;hydrochloride

C6H14ClNO2S — CID 146049187

IUPAC(3-methylsulfonylcyclobutyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1CC(CN)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-2-5(3-6)4-7;/h5-6H,2-4,7H2,1H3;1H
InChIKeyLMJXULLQZCMRFP-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.19
Rot. Bonds2

About (3-methylsulfonylcyclobutyl)methanamine;hydrochloride

(3-methylsulfonylcyclobutyl)methanamine;hydrochloride (PubChem CID 146049187) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is (3-methylsulfonylcyclobutyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methylsulfonylcyclobutyl)methanamine;hydrochloride
PubChem CID146049187
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name(3-methylsulfonylcyclobutyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1CC(CN)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-2-5(3-6)4-7;/h5-6H,2-4,7H2,1H3;1H
InChIKeyLMJXULLQZCMRFP-UHFFFAOYSA-N
XLogP0.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The IUPAC name of (3-methylsulfonylcyclobutyl)methanamine;hydrochloride (CID 146049187) is (3-methylsulfonylcyclobutyl)methanamine;hydrochloride.
What is the SMILES notation for (3-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The canonical SMILES for (3-methylsulfonylcyclobutyl)methanamine;hydrochloride is CS(=O)(=O)C1CC(CN)C1.Cl.
What is the InChIKey of (3-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The InChIKey is LMJXULLQZCMRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-10(8,9)6-2-5(3-6)4-7;/h5-6H,2-4,7H2,1H3;1H.
What are the key properties of (3-methylsulfonylcyclobutyl)methanamine;hydrochloride?
(3-methylsulfonylcyclobutyl)methanamine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclobutyl)methanamine;hydrochloride is sourced from PubChem (CID 146049187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).