N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide

C11H25N3O2S — CID 55066683

IUPACN-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
SMILESCN1CCCCC1CCNCCNS(C)(=O)=O
InChIInChI=1S/C11H25N3O2S/c1-14-10-4-3-5-11(14)6-7-12-8-9-13-17(2,15)16/h11-13H,3-10H2,1-2H3
InChIKeyFCBIXAFRMRAEGJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.00
Rot. Bonds7

About N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide

N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide (PubChem CID 55066683) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
PubChem CID55066683
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide
SMILESCN1CCCCC1CCNCCNS(C)(=O)=O
InChIInChI=1S/C11H25N3O2S/c1-14-10-4-3-5-11(14)6-7-12-8-9-13-17(2,15)16/h11-13H,3-10H2,1-2H3
InChIKeyFCBIXAFRMRAEGJ-UHFFFAOYSA-N
XLogP-0.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]propanoate
CID 60692147
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 64570931
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
CID 64591583
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide (CID 55066683) is N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide is CN1CCCCC1CCNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide?
The InChIKey is FCBIXAFRMRAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-14-10-4-3-5-11(14)6-7-12-8-9-13-17(2,15)16/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide?
N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-methylpiperidin-2-yl)ethylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 55066683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).