(1-methylsulfonylcyclopropyl)methanamine

C5H11NO2S — CID 62475080

IUPAC(1-methylsulfonylcyclopropyl)methanamine
SMILESCS(=O)(=O)C1(CN)CC1
InChIInChI=1S/C5H11NO2S/c1-9(7,8)5(4-6)2-3-5/h2-4,6H2,1H3
InChIKeyTZIMDZUAEJJJRT-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.48
Rot. Bonds2

About (1-methylsulfonylcyclopropyl)methanamine

(1-methylsulfonylcyclopropyl)methanamine (PubChem CID 62475080) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is (1-methylsulfonylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-methylsulfonylcyclopropyl)methanamine
PubChem CID62475080
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name(1-methylsulfonylcyclopropyl)methanamine
SMILESCS(=O)(=O)C1(CN)CC1
InChIInChI=1S/C5H11NO2S/c1-9(7,8)5(4-6)2-3-5/h2-4,6H2,1H3
InChIKeyTZIMDZUAEJJJRT-UHFFFAOYSA-N
XLogP-0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclopropyl)methanamine?
The IUPAC name of (1-methylsulfonylcyclopropyl)methanamine (CID 62475080) is (1-methylsulfonylcyclopropyl)methanamine.
What is the SMILES notation for (1-methylsulfonylcyclopropyl)methanamine?
The canonical SMILES for (1-methylsulfonylcyclopropyl)methanamine is CS(=O)(=O)C1(CN)CC1.
What is the InChIKey of (1-methylsulfonylcyclopropyl)methanamine?
The InChIKey is TZIMDZUAEJJJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-9(7,8)5(4-6)2-3-5/h2-4,6H2,1H3.
What are the key properties of (1-methylsulfonylcyclopropyl)methanamine?
(1-methylsulfonylcyclopropyl)methanamine has a molecular weight of 149.22 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclopropyl)methanamine is sourced from PubChem (CID 62475080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).