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

C17H28ClN3O4S — CID 119625506

IUPAC4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-12-15(10-16(24-12)25(22,23)19(2)3)17(21)20-8-6-14(7-9-20)18-11-13-4-5-13;/h10,13-14,18H,4-9,11H2,1-3H3;1H
InChIKeyAHVREAGTQQCZGK-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.86
Rot. Bonds6

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

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride (PubChem CID 119625506) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
PubChem CID119625506
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC Name4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(NCC2CC2)CC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-12-15(10-16(24-12)25(22,23)19(2)3)17(21)20-8-6-14(7-9-20)18-11-13-4-5-13;/h10,13-14,18H,4-9,11H2,1-3H3;1H
InChIKeyAHVREAGTQQCZGK-UHFFFAOYSA-N
XLogP1.86
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,5-dimethylfuran-2-sulfonamide;hydrochloride
CID 119624045
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119648455
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
CID 119639521
2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylthiophene-3-sulfonamide
CID 119623007
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119623457
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
CID 2736868
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide
CID 119621812
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 119624921
(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,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
The IUPAC name of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride (CID 119625506) is 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(NCC2CC2)CC1.Cl.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
The InChIKey is AHVREAGTQQCZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-12-15(10-16(24-12)25(22,23)19(2)3)17(21)20-8-6-14(7-9-20)18-11-13-4-5-13;/h10,13-14,18H,4-9,11H2,1-3H3;1H.
What are the key properties of 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride?
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119625506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).