N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

C14H28N2O5S2 — CID 113153240

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCCN(C(=O)CN(CCC(C)C)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O5S2/c1-5-16(13-7-9-23(20,21)11-13)14(17)10-15(22(4,18)19)8-6-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyBJPNXARDCPUPIC-UHFFFAOYSA-N
MW368.52 g/mol
LogP0.33
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (PubChem CID 113153240) has the molecular formula C14H28N2O5S2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
PubChem CID113153240
Molecular FormulaC14H28N2O5S2
Molecular Weight368.52 g/mol
Exact Mass368.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCCN(C(=O)CN(CCC(C)C)S(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H28N2O5S2/c1-5-16(13-7-9-23(20,21)11-13)14(17)10-15(22(4,18)19)8-6-12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyBJPNXARDCPUPIC-UHFFFAOYSA-N
XLogP0.33
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (CID 113153240) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is CCN(C(=O)CN(CCC(C)C)S(C)(=O)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The InChIKey is BJPNXARDCPUPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5S2/c1-5-16(13-7-9-23(20,21)11-13)14(17)10-15(22(4,18)19)8-6-12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide has a molecular weight of 368.52 g/mol, XLogP of 0.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113153240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).