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

C10H21N3O3S — CID 66237333

IUPAC4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine
SMILESCS(=O)(=O)N1CCN(CC2COCC2N)CC1
InChIInChI=1S/C10H21N3O3S/c1-17(14,15)13-4-2-12(3-5-13)6-9-7-16-8-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyUMKUYEVKGDUDMM-UHFFFAOYSA-N
MW263.36 g/mol
LogP-1.46
Rot. Bonds3

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

4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine (PubChem CID 66237333) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine
PubChem CID66237333
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC Name4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine
SMILESCS(=O)(=O)N1CCN(CC2COCC2N)CC1
InChIInChI=1S/C10H21N3O3S/c1-17(14,15)13-4-2-12(3-5-13)6-9-7-16-8-10(9)11/h9-10H,2-8,11H2,1H3
InChIKeyUMKUYEVKGDUDMM-UHFFFAOYSA-N
XLogP-1.46
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine (CID 66237333) is 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine is CS(=O)(=O)N1CCN(CC2COCC2N)CC1.
What is the InChIKey of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine?
The InChIKey is UMKUYEVKGDUDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-17(14,15)13-4-2-12(3-5-13)6-9-7-16-8-10(9)11/h9-10H,2-8,11H2,1H3.
What are the key properties of 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine?
4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine has a molecular weight of 263.36 g/mol, XLogP of -1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylsulfonylpiperazin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 66237333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).