1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride

C12H25ClN2O3S — CID 119979197

IUPAC1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCOC1)NCCC1CCCNC1
InChIInChI=1S/C12H24N2O3S.ClH/c15-18(16,10-12-4-7-17-9-12)14-6-3-11-2-1-5-13-8-11;/h11-14H,1-10H2;1H
InChIKeyPGGMMESXGOFBDY-UHFFFAOYSA-N
MW312.86 g/mol
LogP0.75
Rot. Bonds6

About 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride

1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride (PubChem CID 119979197) has the molecular formula C12H25ClN2O3S and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
PubChem CID119979197
Molecular FormulaC12H25ClN2O3S
Molecular Weight312.86 g/mol
Exact Mass312.13
IUPAC Name1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCOC1)NCCC1CCCNC1
InChIInChI=1S/C12H24N2O3S.ClH/c15-18(16,10-12-4-7-17-9-12)14-6-3-11-2-1-5-13-8-11;/h11-14H,1-10H2;1H
InChIKeyPGGMMESXGOFBDY-UHFFFAOYSA-N
XLogP0.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(oxolan-3-ylmethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?
The IUPAC name of 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride (CID 119979197) is 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride is Cl.O=S(=O)(CC1CCOC1)NCCC1CCCNC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?
The InChIKey is PGGMMESXGOFBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S.ClH/c15-18(16,10-12-4-7-17-9-12)14-6-3-11-2-1-5-13-8-11;/h11-14H,1-10H2;1H.
What are the key properties of 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride?
1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride has a molecular weight of 312.86 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119979197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).