1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine

C7H16N2O2S — CID 102551119

IUPAC1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine
SMILESCCS(=O)(=O)CC1CC1(N)CN
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)4-6-3-7(6,9)5-8/h6H,2-5,8-9H2,1H3
InChIKeyKIJPRUFKQJEZCN-UHFFFAOYSA-N
MW192.28 g/mol
LogP-0.90
Rot. Bonds4

About 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine

1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine (PubChem CID 102551119) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine
PubChem CID102551119
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine
SMILESCCS(=O)(=O)CC1CC1(N)CN
InChIInChI=1S/C7H16N2O2S/c1-2-12(10,11)4-6-3-7(6,9)5-8/h6H,2-5,8-9H2,1H3
InChIKeyKIJPRUFKQJEZCN-UHFFFAOYSA-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 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine (CID 102551119) is 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine is CCS(=O)(=O)CC1CC1(N)CN.
What is the InChIKey of 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine?
The InChIKey is KIJPRUFKQJEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-2-12(10,11)4-6-3-7(6,9)5-8/h6H,2-5,8-9H2,1H3.
What are the key properties of 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine?
1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine 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 1-(aminomethyl)-2-(ethylsulfonylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 102551119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).