N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide

C12H25N3O4S — CID 62474673

IUPACN-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C(N)CCOC)CC1
InChIInChI=1S/C12H25N3O4S/c1-3-20(17,18)14-10-4-7-15(8-5-10)12(16)11(13)6-9-19-2/h10-11,14H,3-9,13H2,1-2H3
InChIKeyYAPQKNUJHONUKU-UHFFFAOYSA-N
MW307.42 g/mol
LogP-0.72
Rot. Bonds7

About N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide

N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide (PubChem CID 62474673) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
PubChem CID62474673
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC NameN-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)C(N)CCOC)CC1
InChIInChI=1S/C12H25N3O4S/c1-3-20(17,18)14-10-4-7-15(8-5-10)12(16)11(13)6-9-19-2/h10-11,14H,3-9,13H2,1-2H3
InChIKeyYAPQKNUJHONUKU-UHFFFAOYSA-N
XLogP-0.72
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-bromopropanoyl)piperidin-4-yl]ethanesulfonamide
CID 107904557
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
methyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 47351547
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217277
N-[1-(2-chloropropanoyl)piperidin-4-yl]ethanesulfonamide
CID 54875918
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
2-hydroxyethyl 4-(ethylsulfonylamino)piperidine-1-carboxylate
CID 79345168
4-amino-5-[4-(methanesulfonamido)piperidin-1-yl]-5-oxopentanoic acid
CID 64888155
2-amino-4-methoxy-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butan-1-one
CID 79170242
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
methyl 4-[4-(ethylsulfonylamino)piperidin-1-yl]-4-oxobutanoate
CID 110819833
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide (CID 62474673) is N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)C(N)CCOC)CC1.
What is the InChIKey of N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide?
The InChIKey is YAPQKNUJHONUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-3-20(17,18)14-10-4-7-15(8-5-10)12(16)11(13)6-9-19-2/h10-11,14H,3-9,13H2,1-2H3.
What are the key properties of N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide?
N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide has a molecular weight of 307.42 g/mol, XLogP of -0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-4-methoxybutanoyl)piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 62474673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).