2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide

C12H24N2O4S — CID 155448937

IUPAC2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide
SMILESC=C(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)12(15)14-19(16,17)9-5-7-18-8-6-13-11(3)4/h10,13H,3,5-9H2,1-2,4H3,(H,14,15)
InChIKeyCKXGKIYXDVOPEB-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.62
Rot. Bonds10

About 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide

2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide (PubChem CID 155448937) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide
PubChem CID155448937
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide
SMILESC=C(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C
InChIInChI=1S/C12H24N2O4S/c1-10(2)12(15)14-19(16,17)9-5-7-18-8-6-13-11(3)4/h10,13H,3,5-9H2,1-2,4H3,(H,14,15)
InChIKeyCKXGKIYXDVOPEB-UHFFFAOYSA-N
XLogP0.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
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-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 155402148
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide;molecular hydrogen
CID 155707478
N-[3-[2-(ethylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
CID 155707479
N,2-dimethyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide
CID 156490822
N-[3-[2-(butan-2-ylamino)ethoxy]propylsulfonyl]-2-methylpropanamide
CID 166753111

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide (CID 155448937) is 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide is C=C(C)NCCOCCCS(=O)(=O)NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The InChIKey is CKXGKIYXDVOPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-10(2)12(15)14-19(16,17)9-5-7-18-8-6-13-11(3)4/h10,13H,3,5-9H2,1-2,4H3,(H,14,15).
What are the key properties of 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide?
2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide has a molecular weight of 292.40 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(prop-1-en-2-ylamino)ethoxy]propylsulfonyl]propanamide is sourced from PubChem (CID 155448937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).