[4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride

C14H25ClN4O3S — CID 120876151

IUPAC[4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C(CN)C1.Cl
InChIInChI=1S/C14H24N4O3S.ClH/c1-21-12-5-7-18(11(8-12)9-15)22(19,20)14-10-17-6-3-2-4-13(17)16-14;/h10-12H,2-9,15H2,1H3;1H
InChIKeyHMCGJMKFKKJFBO-UHFFFAOYSA-N
MW364.90 g/mol
LogP0.77
Rot. Bonds4

About [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride

[4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride (PubChem CID 120876151) has the molecular formula C14H25ClN4O3S and a molecular weight of 364.90 g/mol. Its IUPAC name is [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
PubChem CID120876151
Molecular FormulaC14H25ClN4O3S
Molecular Weight364.90 g/mol
Exact Mass364.13
IUPAC Name[4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C(CN)C1.Cl
InChIInChI=1S/C14H24N4O3S.ClH/c1-21-12-5-7-18(11(8-12)9-15)22(19,20)14-10-17-6-3-2-4-13(17)16-14;/h10-12H,2-9,15H2,1H3;1H
InChIKeyHMCGJMKFKKJFBO-UHFFFAOYSA-N
XLogP0.77
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718815
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718968
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159
[1-(5-bromo-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718751
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718980
[1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718976
[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
CID 112622437
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
[1-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120719012
N-(1-amino-2-methylpropan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide;hydrochloride
CID 120874915
[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 112622460
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride (CID 120876151) is [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride is COC1CCN(S(=O)(=O)c2cn3c(n2)CCCC3)C(CN)C1.Cl.
What is the InChIKey of [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is HMCGJMKFKKJFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S.ClH/c1-21-12-5-7-18(11(8-12)9-15)22(19,20)14-10-17-6-3-2-4-13(17)16-14;/h10-12H,2-9,15H2,1H3;1H.
What are the key properties of [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride?
[4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 364.90 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120876151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).