N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide

C11H23N3O4S — CID 103155078

IUPACN-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
SMILESCOC(CN)CC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O4S/c1-18-10(8-12)7-11(15)14-5-3-9(4-6-14)13-19(2,16)17/h9-10,13H,3-8,12H2,1-2H3
InChIKeyHHNYMGYGQHXNKW-UHFFFAOYSA-N
MW293.39 g/mol
LogP-1.11
Rot. Bonds6

About N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide

N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide (PubChem CID 103155078) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
PubChem CID103155078
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC NameN-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
SMILESCOC(CN)CC(=O)N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O4S/c1-18-10(8-12)7-11(15)14-5-3-9(4-6-14)13-19(2,16)17/h9-10,13H,3-8,12H2,1-2H3
InChIKeyHHNYMGYGQHXNKW-UHFFFAOYSA-N
XLogP-1.11
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide with MolForge

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Related Compounds

methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
4-amino-3-methoxy-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 103155063
N-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]methanesulfonamide
CID 61164096
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 120590841

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide (CID 103155078) is N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide is COC(CN)CC(=O)N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is HHNYMGYGQHXNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-18-10(8-12)7-11(15)14-5-3-9(4-6-14)13-19(2,16)17/h9-10,13H,3-8,12H2,1-2H3.
What are the key properties of N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide?
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 293.39 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 103155078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).