3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride

C6H16Cl2N2OS — CID 155943305

IUPAC3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)CC1CC(N)C1
InChIInChI=1S/C6H14N2OS.2ClH/c1-10(8,9)4-5-2-6(7)3-5;;/h5-6,8H,2-4,7H2,1H3;2*1H
InChIKeyMXGRRVUEOGVXGW-UHFFFAOYSA-N
MW235.18 g/mol
LogP1.24
Rot. Bonds2

About 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride

3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride (PubChem CID 155943305) has the molecular formula C6H16Cl2N2OS and a molecular weight of 235.18 g/mol. Its IUPAC name is 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride
PubChem CID155943305
Molecular FormulaC6H16Cl2N2OS
Molecular Weight235.18 g/mol
Exact Mass234.04
IUPAC Name3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride
SMILESCl.Cl.[H]N=S(C)(=O)CC1CC(N)C1
InChIInChI=1S/C6H14N2OS.2ClH/c1-10(8,9)4-5-2-6(7)3-5;;/h5-6,8H,2-4,7H2,1H3;2*1H
InChIKeyMXGRRVUEOGVXGW-UHFFFAOYSA-N
XLogP1.24
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride?
The IUPAC name of 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride (CID 155943305) is 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride.
What is the SMILES notation for 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride?
The canonical SMILES for 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride is Cl.Cl.[H]N=S(C)(=O)CC1CC(N)C1.
What is the InChIKey of 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride?
The InChIKey is MXGRRVUEOGVXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS.2ClH/c1-10(8,9)4-5-2-6(7)3-5;;/h5-6,8H,2-4,7H2,1H3;2*1H.
What are the key properties of 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride?
3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride has a molecular weight of 235.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine;dihydrochloride is sourced from PubChem (CID 155943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).