1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine

C16H25N3O4S — CID 170143993

IUPAC1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cn1
InChIInChI=1S/C16H25N3O4S/c1-13-11-16(22-2)17-12-15(13)24(20,21)19-7-5-18(6-8-19)14-3-9-23-10-4-14/h11-12,14H,3-10H2,1-2H3
InChIKeyJARBPNRUKYMAQJ-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.88
Rot. Bonds4

About 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine

1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine (PubChem CID 170143993) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine
PubChem CID170143993
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cn1
InChIInChI=1S/C16H25N3O4S/c1-13-11-16(22-2)17-12-15(13)24(20,21)19-7-5-18(6-8-19)14-3-9-23-10-4-14/h11-12,14H,3-10H2,1-2H3
InChIKeyJARBPNRUKYMAQJ-UHFFFAOYSA-N
XLogP0.88
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine?
The IUPAC name of 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine (CID 170143993) is 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine.
What is the SMILES notation for 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine?
The canonical SMILES for 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine is COc1cc(C)c(S(=O)(=O)N2CCN(C3CCOCC3)CC2)cn1.
What is the InChIKey of 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine?
The InChIKey is JARBPNRUKYMAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-11-16(22-2)17-12-15(13)24(20,21)19-7-5-18(6-8-19)14-3-9-23-10-4-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine?
1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine has a molecular weight of 355.46 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-4-methyl-3-pyridinyl)sulfonyl]-4-(oxan-4-yl)piperazine is sourced from PubChem (CID 170143993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).