4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride

C16H26ClN3O4S — CID 119624045

IUPAC4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(NCC3CC3)CC2)c(C)o1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-11-14(9-15(23-11)24(21,22)17-2)16(20)19-7-5-13(6-8-19)18-10-12-3-4-12;/h9,12-13,17-18H,3-8,10H2,1-2H3;1H
InChIKeyLIZQGRZCMLLXFI-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.52
Rot. Bonds6

About 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride (PubChem CID 119624045) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride
PubChem CID119624045
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(C(=O)N2CCC(NCC3CC3)CC2)c(C)o1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-11-14(9-15(23-11)24(21,22)17-2)16(20)19-7-5-13(6-8-19)18-10-12-3-4-12;/h9,12-13,17-18H,3-8,10H2,1-2H3;1H
InChIKeyLIZQGRZCMLLXFI-UHFFFAOYSA-N
XLogP1.52
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119625506
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119648455
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119623457
(2R)-4-[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]morpholine-2-carboxylic acid
CID 125120389
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
(5-chloro-2-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624175
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 119621812
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,5-dichlorophenyl)methanone
CID 81487303
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119622789

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride (CID 119624045) is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride is CNS(=O)(=O)c1cc(C(=O)N2CCC(NCC3CC3)CC2)c(C)o1.Cl.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride?
The InChIKey is LIZQGRZCMLLXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-11-14(9-15(23-11)24(21,22)17-2)16(20)19-7-5-13(6-8-19)18-10-12-3-4-12;/h9,12-13,17-18H,3-8,10H2,1-2H3;1H.
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride?
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119624045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).