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

C13H26N2O5S2 — CID 113153232

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O5S2/c1-11(2)5-7-15(21(4,17)18)9-13(16)14(3)12-6-8-22(19,20)10-12/h11-12H,5-10H2,1-4H3
InChIKeySYKJMZKBAYMZLG-UHFFFAOYSA-N
MW354.49 g/mol
LogP-0.06
Rot. Bonds7

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (PubChem CID 113153232) has the molecular formula C13H26N2O5S2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
PubChem CID113153232
Molecular FormulaC13H26N2O5S2
Molecular Weight354.49 g/mol
Exact Mass354.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O5S2/c1-11(2)5-7-15(21(4,17)18)9-13(16)14(3)12-6-8-22(19,20)10-12/h11-12H,5-10H2,1-4H3
InChIKeySYKJMZKBAYMZLG-UHFFFAOYSA-N
XLogP-0.06
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide (CID 113153232) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is CC(C)CCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
The InChIKey is SYKJMZKBAYMZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S2/c1-11(2)5-7-15(21(4,17)18)9-13(16)14(3)12-6-8-22(19,20)10-12/h11-12H,5-10H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide has a molecular weight of 354.49 g/mol, XLogP of -0.06, 7 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-methyl-2-[3-methylbutyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 113153232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).