2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide

C10H20N2O4S2 — CID 106016789

IUPAC2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)CCNC2CC2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)5-3-9(8-17)7-12-18(15,16)6-4-11-10-1-2-10/h9-12H,1-8H2
InChIKeyWBIWQEUDQSIRIA-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.91
Rot. Bonds7

About 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide

2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide (PubChem CID 106016789) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
PubChem CID106016789
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Name2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
SMILESO=S1(=O)CCC(CNS(=O)(=O)CCNC2CC2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)5-3-9(8-17)7-12-18(15,16)6-4-11-10-1-2-10/h9-12H,1-8H2
InChIKeyWBIWQEUDQSIRIA-UHFFFAOYSA-N
XLogP-0.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 62131099
3-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]propane-1-sulfonamide
CID 61057903
2-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]acetic acid
CID 61057638
1,1-dioxo-3-[(sulfamoylamino)methyl]thiolane
CID 86706430
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 61057544
4-tert-butyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclohexan-1-amine
CID 60733471
1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 110722896
2-(cyclopropylamino)-N-(2,2-difluoroethyl)ethanesulfonamide
CID 115409138
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide (CID 106016789) is 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide is O=S1(=O)CCC(CNS(=O)(=O)CCNC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide?
The InChIKey is WBIWQEUDQSIRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c13-17(14)5-3-9(8-17)7-12-18(15,16)6-4-11-10-1-2-10/h9-12H,1-8H2.
What are the key properties of 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide?
2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide has a molecular weight of 296.41 g/mol, XLogP of -0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 106016789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).