3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide

C11H22N4O4S — CID 60964076

IUPAC3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C(N)CC(N)=O)C1
InChIInChI=1S/C11H22N4O4S/c1-20(18,19)14-6-8-3-2-4-15(7-8)11(17)9(12)5-10(13)16/h8-9,14H,2-7,12H2,1H3,(H2,13,16)
InChIKeyABMGQZPGZNYKGA-UHFFFAOYSA-N
MW306.39 g/mol
LogP-2.02
Rot. Bonds6

About 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide

3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide (PubChem CID 60964076) has the molecular formula C11H22N4O4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide
PubChem CID60964076
Molecular FormulaC11H22N4O4S
Molecular Weight306.39 g/mol
Exact Mass306.14
IUPAC Name3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide
SMILESCS(=O)(=O)NCC1CCCN(C(=O)C(N)CC(N)=O)C1
InChIInChI=1S/C11H22N4O4S/c1-20(18,19)14-6-8-3-2-4-15(7-8)11(17)9(12)5-10(13)16/h8-9,14H,2-7,12H2,1H3,(H2,13,16)
InChIKeyABMGQZPGZNYKGA-UHFFFAOYSA-N
XLogP-2.02
TPSA135.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288848
N-[[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 61163603
1-(2-aminopropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 54873272
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
N-[[1-(3-amino-2,2-dimethylpropanoyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119722478
N-[[1-(1-methylcyclopropanecarbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 136514848
1-(3-chloro-2-methylpropanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62727034
N-[[1-[1-(aminomethyl)cyclopropanecarbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 115452903
N-[[(3S)-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97216650
N-[[1-(2-ethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60776412
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 103950960

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide?
The IUPAC name of 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide (CID 60964076) is 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide is CS(=O)(=O)NCC1CCCN(C(=O)C(N)CC(N)=O)C1.
What is the InChIKey of 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide?
The InChIKey is ABMGQZPGZNYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O4S/c1-20(18,19)14-6-8-3-2-4-15(7-8)11(17)9(12)5-10(13)16/h8-9,14H,2-7,12H2,1H3,(H2,13,16).
What are the key properties of 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide?
3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide has a molecular weight of 306.39 g/mol, XLogP of -2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(methanesulfonamidomethyl)piperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 60964076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).