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

C8H18N2O4S2 — CID 62131099

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O4S2/c1-9-3-5-16(13,14)10-6-8-2-4-15(11,12)7-8/h8-10H,2-7H2,1H3
InChIKeyGMXAMIAVPYBWSO-UHFFFAOYSA-N
MW270.38 g/mol
LogP-1.44
Rot. Bonds6

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

N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide (PubChem CID 62131099) has the molecular formula C8H18N2O4S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
PubChem CID62131099
Molecular FormulaC8H18N2O4S2
Molecular Weight270.38 g/mol
Exact Mass270.07
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)NCC1CCS(=O)(=O)C1
InChIInChI=1S/C8H18N2O4S2/c1-9-3-5-16(13,14)10-6-8-2-4-15(11,12)7-8/h8-10H,2-7H2,1H3
InChIKeyGMXAMIAVPYBWSO-UHFFFAOYSA-N
XLogP-1.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylamino)-N-[(1,1-dioxothiolan-3-yl)methyl]ethanesulfonamide
CID 106016789
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
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979
2-[(3S)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460980
2-(methylamino)-N-(oxan-4-ylmethyl)ethanesulfonamide
CID 63708065
3-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-N-[2-(methylamino)ethyl]benzamide
CID 74243722
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 62133818
3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane
CID 106016855
1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 110722896
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide (CID 62131099) is N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)NCC1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide?
The InChIKey is GMXAMIAVPYBWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S2/c1-9-3-5-16(13,14)10-6-8-2-4-15(11,12)7-8/h8-10H,2-7H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide?
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide has a molecular weight of 270.38 g/mol, XLogP of -1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 62131099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).