N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

C14H28N2O4S — CID 113137844

IUPACN-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCCC(C)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-13-6-4-8-15(12-13)14(17)7-10-16(21(3,18)19)9-5-11-20-2/h13H,4-12H2,1-3H3
InChIKeyVDMUKIFRJMNCMA-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.93
Rot. Bonds8

About N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide

N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113137844) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113137844
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC NameN-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCOCCCN(CCC(=O)N1CCCC(C)C1)S(C)(=O)=O
InChIInChI=1S/C14H28N2O4S/c1-13-6-4-8-15(12-13)14(17)7-10-16(21(3,18)19)9-5-11-20-2/h13H,4-12H2,1-3H3
InChIKeyVDMUKIFRJMNCMA-UHFFFAOYSA-N
XLogP0.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.93
H-Bond Donors ≤ 50
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-methoxypropyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113137802
N-(3-methoxypropyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113137809
N-(2-methoxyethyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113159876
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 94809178
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969
N-(4-ethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144892
N-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141653
1-[(3R)-3-methylpiperidin-1-yl]-4-(4-methylsulfonylphenoxy)butan-1-one
CID 94822355
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141792

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide (CID 113137844) is N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is COCCCN(CCC(=O)N1CCCC(C)C1)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is VDMUKIFRJMNCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-13-6-4-8-15(12-13)14(17)7-10-16(21(3,18)19)9-5-11-20-2/h13H,4-12H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide?
N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 320.46 g/mol, XLogP of 0.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113137844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).