2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C10H21N3O5S2 — CID 112994297

IUPAC2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNS(=O)(=O)N(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21N3O5S2/c1-4-13(9-5-6-19(15,16)8-9)10(14)7-11-20(17,18)12(2)3/h9,11H,4-8H2,1-3H3
InChIKeyQISDRZJAPDPTLJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP-1.58
Rot. Bonds6

About 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 112994297) has the molecular formula C10H21N3O5S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID112994297
Molecular FormulaC10H21N3O5S2
Molecular Weight327.43 g/mol
Exact Mass327.09
IUPAC Name2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNS(=O)(=O)N(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21N3O5S2/c1-4-13(9-5-6-19(15,16)8-9)10(14)7-11-20(17,18)12(2)3/h9,11H,4-8H2,1-3H3
InChIKeyQISDRZJAPDPTLJ-UHFFFAOYSA-N
XLogP-1.58
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(pentylamino)acetamide
CID 109003500
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 112994303
2-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003501
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112994308
methyl 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-4-oxobutanoate
CID 110755941
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 8891900
N-(1,1-dioxothiolan-3-yl)-2-(dipropylamino)-N-ethylacetamide
CID 109003505
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752
1-(1,1-dioxothiolan-3-yl)-1,3,3-triethylurea
CID 108989786
3-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-1-ethylurea
CID 47238302

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 112994297) is 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CNS(=O)(=O)N(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is QISDRZJAPDPTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O5S2/c1-4-13(9-5-6-19(15,16)8-9)10(14)7-11-20(17,18)12(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 327.43 g/mol, XLogP of -1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 112994297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).