2-(ethylsulfonylamino)-2-methylpropanethioamide

C6H14N2O2S2 — CID 61121628

IUPAC2-(ethylsulfonylamino)-2-methylpropanethioamide
SMILESCCS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-4-12(9,10)8-6(2,3)5(7)11/h8H,4H2,1-3H3,(H2,7,11)
InChIKeyFCENSHOSKOQRLR-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.01
Rot. Bonds4

About 2-(ethylsulfonylamino)-2-methylpropanethioamide

2-(ethylsulfonylamino)-2-methylpropanethioamide (PubChem CID 61121628) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-2-methylpropanethioamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-2-methylpropanethioamide
PubChem CID61121628
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name2-(ethylsulfonylamino)-2-methylpropanethioamide
SMILESCCS(=O)(=O)NC(C)(C)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-4-12(9,10)8-6(2,3)5(7)11/h8H,4H2,1-3H3,(H2,7,11)
InChIKeyFCENSHOSKOQRLR-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Ethanesulfonamide, N-(1,1-dimethylethyl)-
CID 3526384
2-(Difluoromethylsulfonylamino)-2-methylpropanethioamide
CID 61118851
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
CID 83058219
N'-tert-butylethane-1,2-disulfonamide
CID 87286911
Azanium 2-amino-2-methylpropane-1-sulfonate
CID 140130652
2-(Cyclohexylsulfonylamino)-2-methylpropanethioamide
CID 61119255
2-(Methanesulfonamido)-2-methylpropanethioamide
CID 61119449
2-Methyl-2-(propan-2-ylsulfonylamino)propanethioamide
CID 61121230
2-Methyl-2-(propylsulfonylamino)propanethioamide
CID 61121430
2-(Butylsulfonylamino)-2-methylpropanethioamide
CID 61121627
2-(Propylsulfonylamino)propanethioamide
CID 61122044
2-(Ethylsulfonylamino)propanethioamide
CID 61122242

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-2-methylpropanethioamide?
The IUPAC name of 2-(ethylsulfonylamino)-2-methylpropanethioamide (CID 61121628) is 2-(ethylsulfonylamino)-2-methylpropanethioamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-2-methylpropanethioamide?
The canonical SMILES for 2-(ethylsulfonylamino)-2-methylpropanethioamide is CCS(=O)(=O)NC(C)(C)C(N)=S.
What is the InChIKey of 2-(ethylsulfonylamino)-2-methylpropanethioamide?
The InChIKey is FCENSHOSKOQRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-4-12(9,10)8-6(2,3)5(7)11/h8H,4H2,1-3H3,(H2,7,11).
What are the key properties of 2-(ethylsulfonylamino)-2-methylpropanethioamide?
2-(ethylsulfonylamino)-2-methylpropanethioamide has a molecular weight of 210.32 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-2-methylpropanethioamide is sourced from PubChem (CID 61121628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).