trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine

C7H15NO2S — CID 178199671

IUPACtrans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1CS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2)5(6(7)8)4-11(3,9)10/h5-6H,4,8H2,1-3H3/t5-,6-/m1/s1
InChIKeyYMGDHLFLMUZCQB-PHDIDXHHSA-N
MW177.27 g/mol
LogP0.01
Rot. Bonds2

About trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine

trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine (PubChem CID 178199671) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine
PubChem CID178199671
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Nametrans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine
SMILESCC1(C)[C@H](N)[C@H]1CS(C)(=O)=O
InChIInChI=1S/C7H15NO2S/c1-7(2)5(6(7)8)4-11(3,9)10/h5-6H,4,8H2,1-3H3/t5-,6-/m1/s1
InChIKeyYMGDHLFLMUZCQB-PHDIDXHHSA-N
XLogP0.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine?
The IUPAC name of trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine (CID 178199671) is trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine.
What is the SMILES notation for trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine?
The canonical SMILES for trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine is CC1(C)[C@H](N)[C@H]1CS(C)(=O)=O.
What is the InChIKey of trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine?
The InChIKey is YMGDHLFLMUZCQB-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-7(2)5(6(7)8)4-11(3,9)10/h5-6H,4,8H2,1-3H3/t5-,6-/m1/s1.
What are the key properties of trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine?
trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine has a molecular weight of 177.27 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-2,2-dimethyl-3-(methylsulfonylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 178199671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).