N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide

C11H22N2O3S — CID 113421960

IUPACN-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
SMILESCC1CCCNC1CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-8-5-4-6-12-10(8)7-13-11(14)9(2)17(3,15)16/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyIYVRTXPRSMGAKY-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.08
Rot. Bonds4

About N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide

N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide (PubChem CID 113421960) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
PubChem CID113421960
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide
SMILESCC1CCCNC1CNC(=O)C(C)S(C)(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-8-5-4-6-12-10(8)7-13-11(14)9(2)17(3,15)16/h8-10,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyIYVRTXPRSMGAKY-UHFFFAOYSA-N
XLogP-0.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
1-[(3-methylpiperidin-2-yl)methyl]-3-propylurea
CID 63304890
2-ethyl-N-[(3-methylpiperidin-2-yl)methyl]hexanamide
CID 63304747
1-ethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 63304934
1,1-dimethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79154184
1,1-diethyl-3-[(3-methylpiperidin-2-yl)methyl]urea
CID 79161560
N-[(3-methylpiperidin-2-yl)methyl]-2-propoxyacetamide
CID 107938590
propan-2-yl N-[(3-methylpiperidin-2-yl)methylsulfamoyl]carbamate
CID 114463267
N-[(2-bromocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 104522412
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 104522440
3-cyclopentyl-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 55204232
N-[(4-chlorocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 106133562

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide (CID 113421960) is N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide is CC1CCCNC1CNC(=O)C(C)S(C)(=O)=O.
What is the InChIKey of N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide?
The InChIKey is IYVRTXPRSMGAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-8-5-4-6-12-10(8)7-13-11(14)9(2)17(3,15)16/h8-10,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide?
N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide has a molecular weight of 262.37 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-2-yl)methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 113421960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).