2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide

C15H30N2O4S — CID 167520554

IUPAC2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide
SMILESCCC(=O)CCCCN(C)CCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C15H30N2O4S/c1-5-14(18)9-6-7-10-17(4)11-8-12-22(20,21)16-15(19)13(2)3/h13H,5-12H2,1-4H3,(H,16,19)
InChIKeyLWFGUAZJGCPTRF-UHFFFAOYSA-N
MW334.48 g/mol
LogP1.56
Rot. Bonds12

About 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide

2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide (PubChem CID 167520554) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide
PubChem CID167520554
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Name2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide
SMILESCCC(=O)CCCCN(C)CCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C15H30N2O4S/c1-5-14(18)9-6-7-10-17(4)11-8-12-22(20,21)16-15(19)13(2)3/h13H,5-12H2,1-4H3,(H,16,19)
InChIKeyLWFGUAZJGCPTRF-UHFFFAOYSA-N
XLogP1.56
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(6-methyl-5-oxoheptyl)sulfonylpropanamide
CID 176788202
10-[methyl(propan-2-yl)amino]decan-3-one
CID 176577807
6-[ethyl(methyl)amino]hexan-3-one
CID 106801171
8-[methyl(5-oxooctyl)amino]octan-4-one
CID 159906719
6-propylsulfonylhexan-3-one
CID 106727029
methane;undecane-3,9-dione
CID 158816586
2-amino-N-propylsulfonylpropanamide
CID 103307200
3-[methyl(pentyl)amino]propane-1-sulfonic acid
CID 90277670
6-(3-methylbutylsulfonyl)hexan-3-one
CID 107767963
pentadecane-2,13-dione
CID 58143587
1-[methyl(3-oxooctadecyl)amino]octadecan-3-one
CID 141082877
N'-(3-ethylsulfonylpropyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 65093188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide (CID 167520554) is 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide is CCC(=O)CCCCN(C)CCCS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide?
The InChIKey is LWFGUAZJGCPTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-5-14(18)9-6-7-10-17(4)11-8-12-22(20,21)16-15(19)13(2)3/h13H,5-12H2,1-4H3,(H,16,19).
What are the key properties of 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide?
2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide has a molecular weight of 334.48 g/mol, XLogP of 1.56, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl(5-oxoheptyl)amino]propylsulfonyl]propanamide is sourced from PubChem (CID 167520554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).