N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

C13H26N2O5S2 — CID 113136861

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

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136861) 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-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136861
Molecular FormulaC13H26N2O5S2
Molecular Weight354.49 g/mol
Exact Mass354.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O5S2/c1-11(2)9-15(21(4,17)18)7-5-13(16)14(3)12-6-8-22(19,20)10-12/h11-12H,5-10H2,1-4H3
InChIKeyRYMHRXGZPQDWOE-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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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147502
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylbutanamide
CID 3450541
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 60691709
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60849550
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-methylacetamide
CID 113151002
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147345
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
CID 113153644
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-propan-2-ylpropanediamide
CID 108940820

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136861) is N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is CC(C)CN(CCC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is RYMHRXGZPQDWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5S2/c1-11(2)9-15(21(4,17)18)7-5-13(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-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide 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-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).