3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride

C6H14ClNO2S — CID 139026445

IUPAC3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride
SMILESCS(=O)(=O)CC1CC(N)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)4-5-2-6(7)3-5;/h5-6H,2-4,7H2,1H3;1H
InChIKeySCEZVHZFQDQFGZ-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.19
Rot. Bonds2

About 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride

3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride (PubChem CID 139026445) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride
PubChem CID139026445
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride
SMILESCS(=O)(=O)CC1CC(N)C1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)4-5-2-6(7)3-5;/h5-6H,2-4,7H2,1H3;1H
InChIKeySCEZVHZFQDQFGZ-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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Related Compounds

(1r,3r)-3-Methanesulfonylcyclobutan-1-amine hydrochloride
CID 72207484
6-Amino-2-thiaspiro[3.3]heptane 2,2-dioxide hydrochloride
CID 132342051
3-(2-Aminoethyl)-1lambda6-thietane-1,1-dione hydrochloride
CID 75525617
(1-Methanesulfonylcyclobutyl)methanamine hydrochloride
CID 91641996
1-(1-Methanesulfonylcyclopropyl)ethan-1-amine hydrochloride
CID 119031009
(2R)-1-methanesulfonyl-4-methylpentan-2-amine hydrochloride
CID 137964301
(2S)-1-methanesulfonyl-4-methylpentan-2-amine hydrochloride
CID 137964336
Rac-1-((1s,3s)-3-methanesulfonylcyclobutyl)methanamine hydrochloride
CID 146049187
Imino(methyl)(((1r,3r)-3-aminocyclobutyl)methyl)-lambda6-sulfanone dihydrochloride
CID 155943305
trans-3-Methylsulfonylcyclobutylamine
CID 72207485
(s)-5-Methyl-1-(methylsulfonyl)hexan-3-amine
CID 129846824
(2S)-1-methanesulfonyl-4-methylpentan-2-amine
CID 94451359

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride (CID 139026445) is 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride is CS(=O)(=O)CC1CC(N)C1.Cl.
What is the InChIKey of 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is SCEZVHZFQDQFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-10(8,9)4-5-2-6(7)3-5;/h5-6H,2-4,7H2,1H3;1H.
What are the key properties of 3-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride?
3-(methylsulfonylmethyl)cyclobutan-1-amine;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-(methylsulfonylmethyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 139026445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).