[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

C11H23N3O3S — CID 63004883

IUPAC[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCS(=O)(=O)N1CCN(CC2(CN)CCOC2)CC1
InChIInChI=1S/C11H23N3O3S/c1-18(15,16)14-5-3-13(4-6-14)9-11(8-12)2-7-17-10-11/h2-10,12H2,1H3
InChIKeyYXJCATYFZWENED-UHFFFAOYSA-N
MW277.39 g/mol
LogP-1.07
Rot. Bonds4

About [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 63004883) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
PubChem CID63004883
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCS(=O)(=O)N1CCN(CC2(CN)CCOC2)CC1
InChIInChI=1S/C11H23N3O3S/c1-18(15,16)14-5-3-13(4-6-14)9-11(8-12)2-7-17-10-11/h2-10,12H2,1H3
InChIKeyYXJCATYFZWENED-UHFFFAOYSA-N
XLogP-1.07
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (CID 63004883) is [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is CS(=O)(=O)N1CCN(CC2(CN)CCOC2)CC1.
What is the InChIKey of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is YXJCATYFZWENED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-18(15,16)14-5-3-13(4-6-14)9-11(8-12)2-7-17-10-11/h2-10,12H2,1H3.
What are the key properties of [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
[3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 277.39 g/mol, XLogP of -1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 63004883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).