2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine

C6H13NO2S — CID 79333498

IUPAC2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine
SMILESCC1CC1(N)CS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-3-6(5,7)4-10(2,8)9/h5H,3-4,7H2,1-2H3
InChIKeySBJJETSKJORBIZ-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.23
Rot. Bonds2

About 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine

2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine (PubChem CID 79333498) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine
PubChem CID79333498
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine
SMILESCC1CC1(N)CS(C)(=O)=O
InChIInChI=1S/C6H13NO2S/c1-5-3-6(5,7)4-10(2,8)9/h5H,3-4,7H2,1-2H3
InChIKeySBJJETSKJORBIZ-UHFFFAOYSA-N
XLogP-0.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine?
The IUPAC name of 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine (CID 79333498) is 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine?
The canonical SMILES for 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine is CC1CC1(N)CS(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine?
The InChIKey is SBJJETSKJORBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5-3-6(5,7)4-10(2,8)9/h5H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine?
2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine has a molecular weight of 163.24 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylsulfonylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 79333498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).