1-(furan-2-ylsulfonyl)-3-methylpiperazine

C9H14N2O3S — CID 120875176

IUPAC1-(furan-2-ylsulfonyl)-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2ccco2)CCN1
InChIInChI=1S/C9H14N2O3S/c1-8-7-11(5-4-10-8)15(12,13)9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeySUJQKWOXBXIUDK-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.26
Rot. Bonds2

About 1-(furan-2-ylsulfonyl)-3-methylpiperazine

1-(furan-2-ylsulfonyl)-3-methylpiperazine (PubChem CID 120875176) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(furan-2-ylsulfonyl)-3-methylpiperazine.

Molecular Properties

Compound Name1-(furan-2-ylsulfonyl)-3-methylpiperazine
PubChem CID120875176
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-(furan-2-ylsulfonyl)-3-methylpiperazine
SMILESCC1CN(S(=O)(=O)c2ccco2)CCN1
InChIInChI=1S/C9H14N2O3S/c1-8-7-11(5-4-10-8)15(12,13)9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3
InChIKeySUJQKWOXBXIUDK-UHFFFAOYSA-N
XLogP0.26
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
1-(furan-2-ylsulfonyl)pyrrolidine
CID 130723774
1-(2,6-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448622
1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
(3S)-3-methyl-1-thiophen-2-ylsulfonylpiperazine
CID 66582369
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048
4-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]sulfonylmorpholine;hydrochloride
CID 119981794
1-(2-ethylphenyl)sulfonyl-3-methylpiperazine
CID 120710396
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
(3R)-1-[(3-chloro-2-pyridinyl)sulfonyl]-3-methylpiperazine
CID 97163307
3-[(3R)-3-methylpiperazin-1-yl]sulfonylbenzenesulfonamide
CID 104975055
(3S)-1-(3-bromophenyl)sulfonyl-3-methylpiperazine
CID 104976426

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylsulfonyl)-3-methylpiperazine?
The IUPAC name of 1-(furan-2-ylsulfonyl)-3-methylpiperazine (CID 120875176) is 1-(furan-2-ylsulfonyl)-3-methylpiperazine.
What is the SMILES notation for 1-(furan-2-ylsulfonyl)-3-methylpiperazine?
The canonical SMILES for 1-(furan-2-ylsulfonyl)-3-methylpiperazine is CC1CN(S(=O)(=O)c2ccco2)CCN1.
What is the InChIKey of 1-(furan-2-ylsulfonyl)-3-methylpiperazine?
The InChIKey is SUJQKWOXBXIUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-8-7-11(5-4-10-8)15(12,13)9-3-2-6-14-9/h2-3,6,8,10H,4-5,7H2,1H3.
What are the key properties of 1-(furan-2-ylsulfonyl)-3-methylpiperazine?
1-(furan-2-ylsulfonyl)-3-methylpiperazine has a molecular weight of 230.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylsulfonyl)-3-methylpiperazine is sourced from PubChem (CID 120875176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).