1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride

C11H23ClN2O3S — CID 120716775

IUPAC1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCO1)N[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O3S.ClH/c14-17(15,9-11-5-1-2-7-16-11)13-10-4-3-6-12-8-10;/h10-13H,1-9H2;1H/t10-,11?;/m0./s1
InChIKeyAOIVYMYDBDGUPQ-JMFXEUCVSA-N
MW298.84 g/mol
LogP0.65
Rot. Bonds4

About 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride

1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 120716775) has the molecular formula C11H23ClN2O3S and a molecular weight of 298.84 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID120716775
Molecular FormulaC11H23ClN2O3S
Molecular Weight298.84 g/mol
Exact Mass298.11
IUPAC Name1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CC1CCCCO1)N[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O3S.ClH/c14-17(15,9-11-5-1-2-7-16-11)13-10-4-3-6-12-8-10;/h10-13H,1-9H2;1H/t10-,11?;/m0./s1
InChIKeyAOIVYMYDBDGUPQ-JMFXEUCVSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride (CID 120716775) is 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride is Cl.O=S(=O)(CC1CCCCO1)N[C@H]1CCCNC1.
What is the InChIKey of 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is AOIVYMYDBDGUPQ-JMFXEUCVSA-N. The full InChI is InChI=1S/C11H22N2O3S.ClH/c14-17(15,9-11-5-1-2-7-16-11)13-10-4-3-6-12-8-10;/h10-13H,1-9H2;1H/t10-,11?;/m0./s1.
What are the key properties of 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120716775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).