3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C16H27ClN4O5S — CID 120578660

IUPAC3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCCC2CNC(=O)CCN)c(C)o1.Cl
InChIInChI=1S/C16H26N4O5S.ClH/c1-11-13(9-15(25-11)26(23,24)18-2)16(22)20-8-4-3-5-12(20)10-19-14(21)6-7-17;/h9,12,18H,3-8,10,17H2,1-2H3,(H,19,21);1H
InChIKeyWYRVWJALFXPQHE-UHFFFAOYSA-N
MW422.94 g/mol
LogP0.38
Rot. Bonds7

About 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578660) has the molecular formula C16H27ClN4O5S and a molecular weight of 422.94 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578660
Molecular FormulaC16H27ClN4O5S
Molecular Weight422.94 g/mol
Exact Mass422.14
IUPAC Name3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCCCC2CNC(=O)CCN)c(C)o1.Cl
InChIInChI=1S/C16H26N4O5S.ClH/c1-11-13(9-15(25-11)26(23,24)18-2)16(22)20-8-4-3-5-12(20)10-19-14(21)6-7-17;/h9,12,18H,3-8,10,17H2,1-2H3,(H,19,21);1H
InChIKeyWYRVWJALFXPQHE-UHFFFAOYSA-N
XLogP0.38
TPSA134.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[1-(4-chloro-2-fluorobenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580015
3-amino-N-[[1-(3-bromo-2-methylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120579999
3-amino-N-[[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120580035
3-amino-N-[[1-(2,5-dichlorothiophene-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580258
N-[[1-(5-acetamido-2-fluorobenzoyl)piperidin-2-yl]methyl]-3-aminopropanamide
CID 120580225
3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578938
3-amino-N-[[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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3-amino-N-[[1-(3-methylsulfonylbenzoyl)piperidin-2-yl]methyl]propanamide
CID 120580317
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
3-amino-N-[[1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578476
3-amino-N-[[1-(4-chloro-3-methylbenzoyl)piperidin-2-yl]methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578660) is 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is CNS(=O)(=O)c1cc(C(=O)N2CCCCC2CNC(=O)CCN)c(C)o1.Cl.
What is the InChIKey of 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is WYRVWJALFXPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O5S.ClH/c1-11-13(9-15(25-11)26(23,24)18-2)16(22)20-8-4-3-5-12(20)10-19-14(21)6-7-17;/h9,12,18H,3-8,10,17H2,1-2H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 422.94 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).