1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine

C11H22N2O4S — CID 86743747

IUPAC1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)CCCC2OCCO2)CC1
InChIInChI=1S/C11H22N2O4S/c1-12-4-6-13(7-5-12)18(14,15)10-2-3-11-16-8-9-17-11/h11H,2-10H2,1H3
InChIKeyXPQZULVMDMBPGZ-UHFFFAOYSA-N
MW278.37 g/mol
LogP-0.28
Rot. Bonds5

About 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine

1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine (PubChem CID 86743747) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine
PubChem CID86743747
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)CCCC2OCCO2)CC1
InChIInChI=1S/C11H22N2O4S/c1-12-4-6-13(7-5-12)18(14,15)10-2-3-11-16-8-9-17-11/h11H,2-10H2,1H3
InChIKeyXPQZULVMDMBPGZ-UHFFFAOYSA-N
XLogP-0.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-octadecylsulfonylpiperazine
CID 68601760
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
CID 141053770
N-[hydroxy-[5-(4-methylpiperazin-1-yl)sulfonylpentyl]amino]-N-pentylhydroxylamine
CID 174945817
1-[4-(4-butylsulfonylpiperazin-1-yl)phenyl]-4-methylpiperazine
CID 113079193
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methylsulfonylpiperazine
CID 66472524
1-methyl-4-(2-propan-2-yloxyethylsulfonyl)piperazine
CID 79229270
2-(4-methylpiperazin-1-yl)sulfonylacetic acid;hydrochloride
CID 50988500
4-methyl-6-pentylsulfonyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 75522292
8-butylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 17377912
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
2-methyl-3-(4-methylpiperazin-1-yl)sulfonylpropan-1-ol
CID 82129586

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine (CID 86743747) is 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine is CN1CCN(S(=O)(=O)CCCC2OCCO2)CC1.
What is the InChIKey of 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine?
The InChIKey is XPQZULVMDMBPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-12-4-6-13(7-5-12)18(14,15)10-2-3-11-16-8-9-17-11/h11H,2-10H2,1H3.
What are the key properties of 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine?
1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine has a molecular weight of 278.37 g/mol, XLogP of -0.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine is sourced from PubChem (CID 86743747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).