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

C7H17ClN2O2S — CID 53256488

IUPACN-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-2-12(10,11)9-7-4-3-5-8-6-7;/h7-9H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyKPMDPCIYQBKKLU-FJXQXJEOSA-N
MW228.74 g/mol
LogP0.10
Rot. Bonds3

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

N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride (PubChem CID 53256488) has the molecular formula C7H17ClN2O2S and a molecular weight of 228.74 g/mol. Its IUPAC name is N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
PubChem CID53256488
Molecular FormulaC7H17ClN2O2S
Molecular Weight228.74 g/mol
Exact Mass228.07
IUPAC NameN-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)N[C@H]1CCCNC1.Cl
InChIInChI=1S/C7H16N2O2S.ClH/c1-2-12(10,11)9-7-4-3-5-8-6-7;/h7-9H,2-6H2,1H3;1H/t7-;/m0./s1
InChIKeyKPMDPCIYQBKKLU-FJXQXJEOSA-N
XLogP0.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.74
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]ethanesulfonamide
CID 79684935
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613
(3S)-3-(diethylsulfamoylamino)piperidine;hydrochloride
CID 120716789
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
2-methoxy-N-[(3R)-piperidin-3-yl]ethanesulfonamide
CID 104645644
N-(azepan-3-yl)-1-methylsulfonylmethanesulfonamide
CID 82842865
N-[(3R)-piperidin-3-yl]but-3-ene-1-sulfonamide;hydrochloride
CID 120723752
(3R)-3-(dimethylsulfamoylamino)piperidine;hydrochloride
CID 120723788
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 60962768
1-(oxan-2-yl)-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716775
(3S)-N-(propan-2-ylsulfamoyl)piperidin-3-amine
CID 104982540
2,3,4,5,6-pentamethyl-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723758

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride (CID 53256488) is N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)N[C@H]1CCCNC1.Cl.
What is the InChIKey of N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride?
The InChIKey is KPMDPCIYQBKKLU-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H16N2O2S.ClH/c1-2-12(10,11)9-7-4-3-5-8-6-7;/h7-9H,2-6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride?
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride has a molecular weight of 228.74 g/mol, XLogP of 0.10, 3 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]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 53256488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).