[(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine

C7H16N2O2S — CID 99998717

IUPAC[(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine
SMILESCCS(=O)(=O)[C@H]1CC1(CN)CN
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)6-3-7(6,4-8)5-9/h6H,2-5,8-9H2,1H3/t6-/m0/s1
InChIKeyUYBVZCDWRWYVEB-LURJTMIESA-N
MW192.28 g/mol
LogP-0.90
Rot. Bonds4

About [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine

[(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine (PubChem CID 99998717) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine
PubChem CID99998717
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name[(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine
SMILESCCS(=O)(=O)[C@H]1CC1(CN)CN
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)6-3-7(6,4-8)5-9/h6H,2-5,8-9H2,1H3/t6-/m0/s1
InChIKeyUYBVZCDWRWYVEB-LURJTMIESA-N
XLogP-0.90
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine?
The IUPAC name of [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine (CID 99998717) is [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine.
What is the SMILES notation for [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine?
The canonical SMILES for [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine is CCS(=O)(=O)[C@H]1CC1(CN)CN.
What is the InChIKey of [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine?
The InChIKey is UYBVZCDWRWYVEB-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-12(10,11)6-3-7(6,4-8)5-9/h6H,2-5,8-9H2,1H3/t6-/m0/s1.
What are the key properties of [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine?
[(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine has a molecular weight of 192.28 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine is sourced from PubChem (CID 99998717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).