N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide

C9H21N3O2S — CID 106333681

IUPACN-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CCCCN1
InChIInChI=1S/C9H21N3O2S/c1-10-15(13,14)7-6-11-8-9-4-2-3-5-12-9/h9-12H,2-8H2,1H3
InChIKeyJEHWBRPZTAHAHE-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.73
Rot. Bonds6

About N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide

N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide (PubChem CID 106333681) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
PubChem CID106333681
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide
SMILESCNS(=O)(=O)CCNCC1CCCCN1
InChIInChI=1S/C9H21N3O2S/c1-10-15(13,14)7-6-11-8-9-4-2-3-5-12-9/h9-12H,2-8H2,1H3
InChIKeyJEHWBRPZTAHAHE-UHFFFAOYSA-N
XLogP-0.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanamine
CID 84686147
2-(piperidin-2-ylmethylamino)ethanesulfonamide
CID 106633143
2-(pyrrolidin-2-ylmethylamino)ethanesulfonamide
CID 106636953
3-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106638054
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
2-methylsulfonyl-N-(piperidin-2-ylmethyl)ethanesulfonamide
CID 63245222
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
ethane;N-methyl-1-piperidin-2-ylmethanamine
CID 144727857

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide?
The IUPAC name of N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide (CID 106333681) is N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide is CNS(=O)(=O)CCNCC1CCCCN1.
What is the InChIKey of N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide?
The InChIKey is JEHWBRPZTAHAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-10-15(13,14)7-6-11-8-9-4-2-3-5-12-9/h9-12H,2-8H2,1H3.
What are the key properties of N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide?
N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(piperidin-2-ylmethylamino)ethanesulfonamide is sourced from PubChem (CID 106333681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).