2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide

C8H17N3O3S — CID 64669398

IUPAC2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
SMILESCN1CC(NS(=O)(=O)CCN)CCC1=O
InChIInChI=1S/C8H17N3O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-6,9H2,1H3
InChIKeyHAWQETHGHXLCKI-UHFFFAOYSA-N
MW235.31 g/mol
LogP-1.51
Rot. Bonds4

About 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide

2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide (PubChem CID 64669398) has the molecular formula C8H17N3O3S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
PubChem CID64669398
Molecular FormulaC8H17N3O3S
Molecular Weight235.31 g/mol
Exact Mass235.10
IUPAC Name2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
SMILESCN1CC(NS(=O)(=O)CCN)CCC1=O
InChIInChI=1S/C8H17N3O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-6,9H2,1H3
InChIKeyHAWQETHGHXLCKI-UHFFFAOYSA-N
XLogP-1.51
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide
CID 107652065
1-cyano-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64670233
1-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)methanesulfonamide
CID 64655698
2-amino-N-cyclopropylethanesulfonamide
CID 16787497
3-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-4-sulfonamide
CID 64656103
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 82843888
5-amino-2-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64654475
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64670246
2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
CID 61476840
1-methyl-5-(propylamino)piperidin-2-one
CID 64655123
5-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pentanamide
CID 104685189
3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide (CID 64669398) is 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide is CN1CC(NS(=O)(=O)CCN)CCC1=O.
What is the InChIKey of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
The InChIKey is HAWQETHGHXLCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3S/c1-11-6-7(2-3-8(11)12)10-15(13,14)5-4-9/h7,10H,2-6,9H2,1H3.
What are the key properties of 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide?
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide has a molecular weight of 235.31 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methyl-6-oxopiperidin-3-yl)ethanesulfonamide is sourced from PubChem (CID 64669398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).