1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride

C10H19ClN4O2S — CID 119959743

IUPAC1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCCn1cnc(S(=O)(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-2-13-7-10(12-8-13)17(15,16)14-5-3-4-9(11)6-14;/h7-9H,2-6,11H2,1H3;1H
InChIKeyDYUSQJUTNMTSME-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.44
Rot. Bonds3

About 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride

1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 119959743) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
PubChem CID119959743
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
SMILESCCn1cnc(S(=O)(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C10H18N4O2S.ClH/c1-2-13-7-10(12-8-13)17(15,16)14-5-3-4-9(11)6-14;/h7-9H,2-6,11H2,1H3;1H
InChIKeyDYUSQJUTNMTSME-UHFFFAOYSA-N
XLogP0.44
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-amine
CID 97048201
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carbonitrile
CID 79373816
2-[1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]ethanamine
CID 114802284
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 79373473
1-(1-ethylimidazol-4-yl)sulfonylpyrrolidin-2-amine
CID 79372688
1-(1-ethylimidazol-4-yl)sulfonyl-3-pyrrolidin-2-ylpiperidine
CID 79369669
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837
N-[[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-2-amine
CID 79369882
5-(1-ethylimidazol-4-yl)sulfonyl-4,6,7,7a-tetrahydro-3aH-furo[3,4-c]pyridine-1,3-dione
CID 115917728
[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 92750491

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride (CID 119959743) is 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride is CCn1cnc(S(=O)(=O)N2CCCC(N)C2)c1.Cl.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is DYUSQJUTNMTSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-2-13-7-10(12-8-13)17(15,16)14-5-3-4-9(11)6-14;/h7-9H,2-6,11H2,1H3;1H.
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride?
1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119959743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).