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

C11H22N2O5S2 — CID 113147502

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S2/c1-4-6-13(19(3,15)16)8-11(14)12(2)10-5-7-20(17,18)9-10/h10H,4-9H2,1-3H3
InChIKeyXGYRCUCLUMHECB-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.70
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide (PubChem CID 113147502) has the molecular formula C11H22N2O5S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
PubChem CID113147502
Molecular FormulaC11H22N2O5S2
Molecular Weight326.44 g/mol
Exact Mass326.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
SMILESCCCN(CC(=O)N(C)C1CCS(=O)(=O)C1)S(C)(=O)=O
InChIInChI=1S/C11H22N2O5S2/c1-4-6-13(19(3,15)16)8-11(14)12(2)10-5-7-20(17,18)9-10/h10H,4-9H2,1-3H3
InChIKeyXGYRCUCLUMHECB-UHFFFAOYSA-N
XLogP-0.70
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153415
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136861
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propyl)amino]-N-methylacetamide
CID 60691708
N-(1,1-dioxothiolan-3-yl)-2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-methylacetamide
CID 113151002
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylpropanamide
CID 113140538
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N,N-dipropylacetamide
CID 113152388
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 113149470
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(N-methylsulfonylanilino)acetamide
CID 113153644
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 60691709
N-(1,1-dioxothiolan-3-yl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-methylacetamide
CID 115637928

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide (CID 113147502) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide is CCCN(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-[methylsulfonyl(propyl)amino]acetamide?
The InChIKey is XGYRCUCLUMHECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S2/c1-4-6-13(19(3,15)16)8-11(14)12(2)10-5-7-20(17,18)9-10/h10H,4-9H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[methylsulfonyl(propyl)amino]acetamide has a molecular weight of 326.44 g/mol, XLogP of -0.70, 6 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-[methylsulfonyl(propyl)amino]acetamide is sourced from PubChem (CID 113147502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).