(1-methylsulfonylcyclobutyl)methanamine;hydrochloride

C6H14ClNO2S — CID 91641996

IUPAC(1-methylsulfonylcyclobutyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1(CN)CCC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6(5-7)3-2-4-6;/h2-5,7H2,1H3;1H
InChIKeyFYGMUIYLWSFAEG-UHFFFAOYSA-N
MW199.70 g/mol
LogP0.33
Rot. Bonds2

About (1-methylsulfonylcyclobutyl)methanamine;hydrochloride

(1-methylsulfonylcyclobutyl)methanamine;hydrochloride (PubChem CID 91641996) has the molecular formula C6H14ClNO2S and a molecular weight of 199.70 g/mol. Its IUPAC name is (1-methylsulfonylcyclobutyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-methylsulfonylcyclobutyl)methanamine;hydrochloride
PubChem CID91641996
Molecular FormulaC6H14ClNO2S
Molecular Weight199.70 g/mol
Exact Mass199.04
IUPAC Name(1-methylsulfonylcyclobutyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1(CN)CCC1.Cl
InChIInChI=1S/C6H13NO2S.ClH/c1-10(8,9)6(5-7)3-2-4-6;/h2-5,7H2,1H3;1H
InChIKeyFYGMUIYLWSFAEG-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminomethyl)-3-methanesulfonylpentane
CID 56828540
3-(Methanesulfonylmethyl)cyclobutan-1-amine hydrochloride
CID 139026445
Rac-1-((1s,3s)-3-methanesulfonylcyclobutyl)methanamine hydrochloride
CID 146049187
1-(1-Methanesulfonylcyclobutyl)methanamine
CID 62475081
1-[(1r,3r)-3-Methanesulfonylcyclobutyl]methanamine
CID 115012872
2-Ethyl-2-methylsulfonylbutan-1-amine;hydrochloride
CID 170914009
1-(3,3-Difluoro-1-methanesulfonylcyclobutyl)methanamine hydrochloride
CID 178190475
(3,3-Difluoro-1-methylsulfonylcyclobutyl)methanamine
CID 178190476
1-[1-(Ethanesulfonyl)cyclobutyl]methanamine
CID 97617400
2-(1-(Methylsulfonyl)cyclopropyl)ethan-1-amine
CID 115012873
3-Methyl-3-methylsulfonylpentan-1-amine
CID 123997711
2-Methyl-2-methylsulfonylbutan-1-amine
CID 151090489

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The IUPAC name of (1-methylsulfonylcyclobutyl)methanamine;hydrochloride (CID 91641996) is (1-methylsulfonylcyclobutyl)methanamine;hydrochloride.
What is the SMILES notation for (1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The canonical SMILES for (1-methylsulfonylcyclobutyl)methanamine;hydrochloride is CS(=O)(=O)C1(CN)CCC1.Cl.
What is the InChIKey of (1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The InChIKey is FYGMUIYLWSFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S.ClH/c1-10(8,9)6(5-7)3-2-4-6;/h2-5,7H2,1H3;1H.
What are the key properties of (1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
(1-methylsulfonylcyclobutyl)methanamine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclobutyl)methanamine;hydrochloride is sourced from PubChem (CID 91641996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).