N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

C15H24ClN3O4S — CID 120984468

IUPACN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCOCC(N)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-22-11-14(16)15(19)18-9-7-12(8-10-18)17-23(20,21)13-5-3-2-4-6-13;/h2-6,12,14,17H,7-11,16H2,1H3;1H
InChIKeyICEIQERKSLEWOR-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.35
Rot. Bonds6

About N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride

N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 120984468) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
PubChem CID120984468
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC NameN-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCOCC(N)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-22-11-14(16)15(19)18-9-7-12(8-10-18)17-23(20,21)13-5-3-2-4-6-13;/h2-6,12,14,17H,7-11,16H2,1H3;1H
InChIKeyICEIQERKSLEWOR-UHFFFAOYSA-N
XLogP0.35
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
2-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120984914
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294488
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylpropanamide
CID 81083203
N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55690364
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
CID 62474673
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162332

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride (CID 120984468) is N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is COCC(N)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.Cl.
What is the InChIKey of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is ICEIQERKSLEWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-22-11-14(16)15(19)18-9-7-12(8-10-18)17-23(20,21)13-5-3-2-4-6-13;/h2-6,12,14,17H,7-11,16H2,1H3;1H.
What are the key properties of N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120984468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).