cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine

C5H12N2O2S — CID 99998438

IUPACcis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine
SMILESCS(=O)(=O)[C@H]1C[C@]1(N)CN
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)4-2-5(4,7)3-6/h4H,2-3,6-7H2,1H3/t4-,5-/m0/s1
InChIKeyOKXGSZLXUNUXJF-WHFBIAKZSA-N
MW164.23 g/mol
LogP-1.54
Rot. Bonds2

About cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine

cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine (PubChem CID 99998438) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine
PubChem CID99998438
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Namecis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine
SMILESCS(=O)(=O)[C@H]1C[C@]1(N)CN
InChIInChI=1S/C5H12N2O2S/c1-10(8,9)4-2-5(4,7)3-6/h4H,2-3,6-7H2,1H3/t4-,5-/m0/s1
InChIKeyOKXGSZLXUNUXJF-WHFBIAKZSA-N
XLogP-1.54
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine (CID 99998438) is cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine is CS(=O)(=O)[C@H]1C[C@]1(N)CN.
What is the InChIKey of cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine?
The InChIKey is OKXGSZLXUNUXJF-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H12N2O2S/c1-10(8,9)4-2-5(4,7)3-6/h4H,2-3,6-7H2,1H3/t4-,5-/m0/s1.
What are the key properties of cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine?
cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine has a molecular weight of 164.23 g/mol, XLogP of -1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropan-1-amine is sourced from PubChem (CID 99998438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).