2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide

C13H27N3O3S — CID 171701465

IUPAC2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(CN(C)S(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O3S/c1-11(2)14-13(17)10-16-7-5-12(6-8-16)9-15(3)20(4,18)19/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyBGRBLFMIZKAAKA-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.11
Rot. Bonds6

About 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 171701465) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID171701465
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(CN(C)S(C)(=O)=O)CC1
InChIInChI=1S/C13H27N3O3S/c1-11(2)14-13(17)10-16-7-5-12(6-8-16)9-15(3)20(4,18)19/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyBGRBLFMIZKAAKA-UHFFFAOYSA-N
XLogP0.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
N-(2-fluorophenyl)-2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]acetamide
CID 171691004
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 34782989
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
N-propan-2-yl-2-[4-[(3R)-3-propan-2-yloxybutyl]piperidin-1-yl]acetamide
CID 170372048
N-(cyclohexylmethyl)-N-methylmethanesulfonamide
CID 60728833
N-[3-hydroxy-4-[methyl(methylsulfonyl)amino]butan-2-yl]-2-[(2-pyrrolidin-1-ylacetyl)amino]propanamide
CID 20698797
N-propan-2-yl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495300
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 120774308
2-(3-aminoazetidin-1-yl)-N-propan-2-ylacetamide
CID 63760908
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide (CID 171701465) is 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(CN(C)S(C)(=O)=O)CC1.
What is the InChIKey of 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is BGRBLFMIZKAAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-11(2)14-13(17)10-16-7-5-12(6-8-16)9-15(3)20(4,18)19/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 305.44 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(methylsulfonyl)amino]methyl]piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 171701465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).