N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide

C13H28N2O4S — CID 156523751

IUPACN,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
SMILESCC(C)NCCOCCCS(=O)(=O)N(C)C(=O)C(C)C
InChIInChI=1S/C13H28N2O4S/c1-11(2)13(16)15(5)20(17,18)10-6-8-19-9-7-14-12(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyUGFPFDIGNIDFLG-UHFFFAOYSA-N
MW308.44 g/mol
LogP0.84
Rot. Bonds10

About N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide

N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide (PubChem CID 156523751) has the molecular formula C13H28N2O4S and a molecular weight of 308.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
PubChem CID156523751
Molecular FormulaC13H28N2O4S
Molecular Weight308.44 g/mol
Exact Mass308.18
IUPAC NameN,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide
SMILESCC(C)NCCOCCCS(=O)(=O)N(C)C(=O)C(C)C
InChIInChI=1S/C13H28N2O4S/c1-11(2)13(16)15(5)20(17,18)10-6-8-19-9-7-14-12(3)4/h11-12,14H,6-10H2,1-5H3
InChIKeyUGFPFDIGNIDFLG-UHFFFAOYSA-N
XLogP0.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 54324097
CID 54324097
CID 57740859
CID 57740859
CID 57740904
CID 57740904
CID 59783181
CID 59783181
CID 90428996
CID 90428996
CID 138592787
CID 138592787
CID 141017699
CID 141017699
CID 155189257
CID 155189257
CID 155402148
CID 155402148
CID 155405417
CID 155405417
CID 155455154
CID 155455154
CID 155455170
CID 155455170

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide (CID 156523751) is N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide is CC(C)NCCOCCCS(=O)(=O)N(C)C(=O)C(C)C.
What is the InChIKey of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
The InChIKey is UGFPFDIGNIDFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O4S/c1-11(2)13(16)15(5)20(17,18)10-6-8-19-9-7-14-12(3)4/h11-12,14H,6-10H2,1-5H3.
What are the key properties of N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide?
N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide has a molecular weight of 308.44 g/mol, XLogP of 0.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[2-(propan-2-ylamino)ethoxy]propylsulfonyl]propanamide is sourced from PubChem (CID 156523751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).