N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride

C17H28ClN3O3S — CID 120818811

IUPACN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-4-6-14(7-5-13)24(22,23)19-10-8-16(21)20-11-9-15(18)17(2,3)12-20;/h4-7,15,19H,8-12,18H2,1-3H3;1H
InChIKeyRFHNJQZQZJINBJ-UHFFFAOYSA-N
MW389.95 g/mol
LogP1.67
Rot. Bonds5

About N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride

N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 120818811) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride
PubChem CID120818811
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC NameN-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCC(=O)N2CCC(N)C(C)(C)C2)cc1.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-13-4-6-14(7-5-13)24(22,23)19-10-8-16(21)20-11-9-15(18)17(2,3)12-20;/h4-7,15,19H,8-12,18H2,1-3H3;1H
InChIKeyRFHNJQZQZJINBJ-UHFFFAOYSA-N
XLogP1.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 120817816
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 120815224
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9314922
N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-oxopropyl]-4-methylbenzenesulfonamide
CID 9295871
4-methyl-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzenesulfonamide
CID 3160566
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-dimethylphenyl)ethanone
CID 120818565
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-chlorophenyl)sulfonylethanone;hydrochloride
CID 120818733
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one;hydrochloride
CID 120817690
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 119560534
N-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119412585
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride (CID 120818811) is N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC(N)C(C)(C)C2)cc1.Cl.
What is the InChIKey of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is RFHNJQZQZJINBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-13-4-6-14(7-5-13)24(22,23)19-10-8-16(21)20-11-9-15(18)17(2,3)12-20;/h4-7,15,19H,8-12,18H2,1-3H3;1H.
What are the key properties of N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride?
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropyl]-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120818811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).