3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol

C16H25N3O4S — CID 70773010

IUPAC3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC3(O)CCNC3)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-23-14-2-4-15(5-3-14)24(21,22)19-10-8-18(9-11-19)13-16(20)6-7-17-12-16/h2-5,17,20H,6-13H2,1H3
InChIKeyOXCGZJHTMVDKGZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP-0.27
Rot. Bonds5

About 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol

3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol (PubChem CID 70773010) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol
PubChem CID70773010
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC3(O)CCNC3)CC2)cc1
InChIInChI=1S/C16H25N3O4S/c1-23-14-2-4-15(5-3-14)24(21,22)19-10-8-18(9-11-19)13-16(20)6-7-17-12-16/h2-5,17,20H,6-13H2,1H3
InChIKeyOXCGZJHTMVDKGZ-UHFFFAOYSA-N
XLogP-0.27
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol (CID 70773010) is 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol is COc1ccc(S(=O)(=O)N2CCN(CC3(O)CCNC3)CC2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol?
The InChIKey is OXCGZJHTMVDKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-23-14-2-4-15(5-3-14)24(21,22)19-10-8-18(9-11-19)13-16(20)6-7-17-12-16/h2-5,17,20H,6-13H2,1H3.
What are the key properties of 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol?
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol has a molecular weight of 355.46 g/mol, XLogP of -0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70773010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).