1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride

C9H19ClN2O3S — CID 119961556

IUPAC1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCO1)N1CCNCC1
InChIInChI=1S/C9H18N2O3S.ClH/c12-15(13,8-9-2-1-7-14-9)11-5-3-10-4-6-11;/h9-10H,1-8H2;1H
InChIKeyGBQZXUGAEUUTIS-UHFFFAOYSA-N
MW270.78 g/mol
LogP-0.18
Rot. Bonds3

About 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride

1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride (PubChem CID 119961556) has the molecular formula C9H19ClN2O3S and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
PubChem CID119961556
Molecular FormulaC9H19ClN2O3S
Molecular Weight270.78 g/mol
Exact Mass270.08
IUPAC Name1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(CC1CCCO1)N1CCNCC1
InChIInChI=1S/C9H18N2O3S.ClH/c12-15(13,8-9-2-1-7-14-9)11-5-3-10-4-6-11;/h9-10H,1-8H2;1H
InChIKeyGBQZXUGAEUUTIS-UHFFFAOYSA-N
XLogP-0.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]ethanamine;hydrochloride
CID 119974695
3-bromo-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 80668077
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-ol
CID 63247301
1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63247573
(3R)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 115301823
N-methyl-1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-3-amine;hydrochloride
CID 119962995
[1-(oxolan-2-ylmethylsulfonyl)piperazin-2-yl]methanamine
CID 113415492
3-bromo-1-(oxolan-2-ylmethylsulfonyl)piperidine
CID 80677029
3-[1-(oxolan-2-ylmethylsulfonyl)pyrrolidin-2-yl]piperidine
CID 63247204
3-(chloromethyl)-1-(oxolan-2-ylmethylsulfonyl)pyrrolidine
CID 63400894
1-(3,3-dimethylbutyl)-4-[[(2R)-oxan-2-yl]methylsulfonyl]piperazine
CID 97006074
2-[1-(oxolan-2-ylmethylsulfonyl)piperidin-4-yl]oxyacetic acid
CID 63877001

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride (CID 119961556) is 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride is Cl.O=S(=O)(CC1CCCO1)N1CCNCC1.
What is the InChIKey of 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride?
The InChIKey is GBQZXUGAEUUTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3S.ClH/c12-15(13,8-9-2-1-7-14-9)11-5-3-10-4-6-11;/h9-10H,1-8H2;1H.
What are the key properties of 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride?
1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride has a molecular weight of 270.78 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 119961556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).