N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide

C10H21N3O3S — CID 102673469

IUPACN-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-9(14)11-5-6-12-10-3-7-13(8-4-10)17(2,15)16/h10,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyPSCKFNMHXYTOJM-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.86
Rot. Bonds5

About N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide

N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide (PubChem CID 102673469) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
PubChem CID102673469
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H21N3O3S/c1-9(14)11-5-6-12-10-3-7-13(8-4-10)17(2,15)16/h10,12H,3-8H2,1-2H3,(H,11,14)
InChIKeyPSCKFNMHXYTOJM-UHFFFAOYSA-N
XLogP-0.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.86
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-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
CID 155154969
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]acetamide
CID 102673464
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
CID 106437494
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60976887
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide (CID 102673469) is N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide is CC(=O)NCCNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide?
The InChIKey is PSCKFNMHXYTOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-9(14)11-5-6-12-10-3-7-13(8-4-10)17(2,15)16/h10,12H,3-8H2,1-2H3,(H,11,14).
What are the key properties of N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide?
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide has a molecular weight of 263.36 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 102673469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).