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

C16H28ClN3O4S — CID 119648455

IUPAC4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1.Cl
InChIInChI=1S/C16H27N3O4S.ClH/c1-5-17-11-13-6-8-19(9-7-13)16(20)14-10-15(23-12(14)2)24(21,22)18(3)4;/h10,13,17H,5-9,11H2,1-4H3;1H
InChIKeyBXRNFPKHBCEZHA-UHFFFAOYSA-N
MW393.94 g/mol
LogP1.72
Rot. Bonds6

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

4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride (PubChem CID 119648455) has the molecular formula C16H28ClN3O4S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
PubChem CID119648455
Molecular FormulaC16H28ClN3O4S
Molecular Weight393.94 g/mol
Exact Mass393.15
IUPAC Name4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1.Cl
InChIInChI=1S/C16H27N3O4S.ClH/c1-5-17-11-13-6-8-19(9-7-13)16(20)14-10-15(23-12(14)2)24(21,22)18(3)4;/h10,13,17H,5-9,11H2,1-4H3;1H
InChIKeyBXRNFPKHBCEZHA-UHFFFAOYSA-N
XLogP1.72
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
CID 119639521
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride
CID 119624045
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
CID 2736868
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
5-(dimethylsulfamoyl)-N-(3-ethylcyclohexyl)-2-methylfuran-3-carboxamide
CID 71974070
4-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
CID 154873477
N-[2-[4-(ethylaminomethyl)piperidine-1-carbonyl]-4-fluorophenyl]methanesulfonamide;hydrochloride
CID 119644374
[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 80550728
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
The IUPAC name of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride (CID 119648455) is 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride is CCNCC1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1.Cl.
What is the InChIKey of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
The InChIKey is BXRNFPKHBCEZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S.ClH/c1-5-17-11-13-6-8-19(9-7-13)16(20)14-10-15(23-12(14)2)24(21,22)18(3)4;/h10,13,17H,5-9,11H2,1-4H3;1H.
What are the key properties of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride has a molecular weight of 393.94 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119648455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).