1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride

C10H19ClN4O2S — CID 119965400

IUPAC1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cnc[nH]1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8(11)9-4-2-3-5-14(9)17(15,16)10-6-12-7-13-10;/h6-9H,2-5,11H2,1H3,(H,12,13);1H
InChIKeyWLHFFFOCXGRIQZ-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.72
Rot. Bonds3

About 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride

1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119965400) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119965400
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cnc[nH]1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-8(11)9-4-2-3-5-14(9)17(15,16)10-6-12-7-13-10;/h6-9H,2-5,11H2,1H3,(H,12,13);1H
InChIKeyWLHFFFOCXGRIQZ-UHFFFAOYSA-N
XLogP0.72
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-imidazol-5-ylsulfonyl)-2-methylpiperidine
CID 6619456
(2R)-1-(1H-imidazol-5-ylsulfonyl)piperidine-2-carboxylic acid
CID 79034784
1-[1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidin-2-yl]ethanamine
CID 63255090
N'-hydroxy-1-(1H-imidazol-5-ylsulfonyl)pyrrolidine-2-carboximidamide
CID 77036319
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
CID 119965289
(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965286
1-[1-(3-fluoro-5-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965497
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965267
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-3,5-difluorobenzonitrile;hydrochloride
CID 167767086
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride (CID 119965400) is 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)c1cnc[nH]1.Cl.
What is the InChIKey of 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is WLHFFFOCXGRIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-8(11)9-4-2-3-5-14(9)17(15,16)10-6-12-7-13-10;/h6-9H,2-5,11H2,1H3,(H,12,13);1H.
What are the key properties of 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride?
1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119965400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).