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

C6H15ClN2O2S — CID 53256839

IUPACN-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-6-3-2-4-7-5-6;/h6-8H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyVNFMQVRIDMOXMR-RGMNGODLSA-N
MW214.72 g/mol
LogP-0.29
Rot. Bonds2

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

N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride (PubChem CID 53256839) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
PubChem CID53256839
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC NameN-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-6-3-2-4-7-5-6;/h6-8H,2-5H2,1H3;1H/t6-;/m0./s1
InChIKeyVNFMQVRIDMOXMR-RGMNGODLSA-N
XLogP-0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride (CID 53256839) is N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride is CS(=O)(=O)N[C@H]1CCCNC1.Cl.
What is the InChIKey of N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
The InChIKey is VNFMQVRIDMOXMR-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c1-11(9,10)8-6-3-2-4-7-5-6;/h6-8H,2-5H2,1H3;1H/t6-;/m0./s1.
What are the key properties of N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride?
N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 53256839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).