(3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one

C14H26N4O4S — CID 95345058

IUPAC(3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one
SMILESC[C@@H]1C[C@@H](N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C(=O)O1
InChIInChI=1S/C14H26N4O4S/c1-12-11-13(14(19)22-12)16-5-9-18(10-6-16)23(20,21)17-7-3-15(2)4-8-17/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyYVQOFOIWNLAQEM-CHWSQXEVSA-N
MW346.45 g/mol
LogP-1.20
Rot. Bonds3

About (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one

(3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one (PubChem CID 95345058) has the molecular formula C14H26N4O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one
PubChem CID95345058
Molecular FormulaC14H26N4O4S
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC Name(3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one
SMILESC[C@@H]1C[C@@H](N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C(=O)O1
InChIInChI=1S/C14H26N4O4S/c1-12-11-13(14(19)22-12)16-5-9-18(10-6-16)23(20,21)17-7-3-15(2)4-8-17/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyYVQOFOIWNLAQEM-CHWSQXEVSA-N
XLogP-1.20
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 5-1.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
The IUPAC name of (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one (CID 95345058) is (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one is C[C@@H]1C[C@@H](N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C(=O)O1.
What is the InChIKey of (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
The InChIKey is YVQOFOIWNLAQEM-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26N4O4S/c1-12-11-13(14(19)22-12)16-5-9-18(10-6-16)23(20,21)17-7-3-15(2)4-8-17/h12-13H,3-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one?
(3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one has a molecular weight of 346.45 g/mol, XLogP of -1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-methyl-3-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 95345058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).