trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride

C5H12ClNO2S — CID 155978246

IUPACtrans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride
SMILESCS(=O)(=O)[C@@H]1CC[C@H]1N.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-9(7,8)5-3-2-4(5)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5-;/m1./s1
InChIKeyUENSDEPZEBGQCT-TYSVMGFPSA-N
MW185.68 g/mol
LogP-0.06
Rot. Bonds1

About trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride

trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride (PubChem CID 155978246) has the molecular formula C5H12ClNO2S and a molecular weight of 185.68 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride
PubChem CID155978246
Molecular FormulaC5H12ClNO2S
Molecular Weight185.68 g/mol
Exact Mass185.03
IUPAC Nametrans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride
SMILESCS(=O)(=O)[C@@H]1CC[C@H]1N.Cl
InChIInChI=1S/C5H11NO2S.ClH/c1-9(7,8)5-3-2-4(5)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5-;/m1./s1
InChIKeyUENSDEPZEBGQCT-TYSVMGFPSA-N
XLogP-0.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride (CID 155978246) is trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride is CS(=O)(=O)[C@@H]1CC[C@H]1N.Cl.
What is the InChIKey of trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride?
The InChIKey is UENSDEPZEBGQCT-TYSVMGFPSA-N. The full InChI is InChI=1S/C5H11NO2S.ClH/c1-9(7,8)5-3-2-4(5)6;/h4-5H,2-3,6H2,1H3;1H/t4-,5-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride?
trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride has a molecular weight of 185.68 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylsulfonylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 155978246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).