[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine

C9H19N3O2S — CID 106661212

IUPAC[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CC2)CC1
InChIInChI=1S/C9H19N3O2S/c1-15(13,14)12-6-4-11(5-7-12)9(8-10)2-3-9/h2-8,10H2,1H3
InChIKeyCNQGKHFHXRGJOK-UHFFFAOYSA-N
MW233.34 g/mol
LogP-0.95
Rot. Bonds3

About [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine

[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine (PubChem CID 106661212) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine
PubChem CID106661212
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine
SMILESCS(=O)(=O)N1CCN(C2(CN)CC2)CC1
InChIInChI=1S/C9H19N3O2S/c1-15(13,14)12-6-4-11(5-7-12)9(8-10)2-3-9/h2-8,10H2,1H3
InChIKeyCNQGKHFHXRGJOK-UHFFFAOYSA-N
XLogP-0.95
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine (CID 106661212) is [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine is CS(=O)(=O)N1CCN(C2(CN)CC2)CC1.
What is the InChIKey of [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine?
The InChIKey is CNQGKHFHXRGJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-15(13,14)12-6-4-11(5-7-12)9(8-10)2-3-9/h2-8,10H2,1H3.
What are the key properties of [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine?
[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine has a molecular weight of 233.34 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine is sourced from PubChem (CID 106661212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).