2-(butylsulfonylamino)-2-ethylbutanethioamide

C10H22N2O2S2 — CID 61123686

IUPAC2-(butylsulfonylamino)-2-ethylbutanethioamide
SMILESCCCCS(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C10H22N2O2S2/c1-4-7-8-16(13,14)12-10(5-2,6-3)9(11)15/h12H,4-8H2,1-3H3,(H2,11,15)
InChIKeyKCXMZLXYFZYAJG-UHFFFAOYSA-N
MW266.43 g/mol
LogP1.55
Rot. Bonds8

About 2-(butylsulfonylamino)-2-ethylbutanethioamide

2-(butylsulfonylamino)-2-ethylbutanethioamide (PubChem CID 61123686) has the molecular formula C10H22N2O2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(butylsulfonylamino)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(butylsulfonylamino)-2-ethylbutanethioamide
PubChem CID61123686
Molecular FormulaC10H22N2O2S2
Molecular Weight266.43 g/mol
Exact Mass266.11
IUPAC Name2-(butylsulfonylamino)-2-ethylbutanethioamide
SMILESCCCCS(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C10H22N2O2S2/c1-4-7-8-16(13,14)12-10(5-2,6-3)9(11)15/h12H,4-8H2,1-3H3,(H2,11,15)
InChIKeyKCXMZLXYFZYAJG-UHFFFAOYSA-N
XLogP1.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 51.55
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

2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058774
2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058906
2-(Cyclohexylmethylsulfonylamino)-2-methylbutanethioamide
CID 54947105
2-(Cyclohexylmethylsulfonylamino)-2-methylpropanethioamide
CID 54947890
1-(3-Methylbutylsulfonylamino)cyclopentane-1-carbothioamide
CID 55259381
2-Ethyl-2-(3-methylbutylsulfonylamino)butanethioamide
CID 55259382
2-(Cyclohexylsulfonylamino)-2-methylpropanethioamide
CID 61119255
2-Methyl-2-(propan-2-ylsulfonylamino)propanethioamide
CID 61121230
2-Methyl-2-(propylsulfonylamino)propanethioamide
CID 61121430
2-(Butylsulfonylamino)-2-methylpropanethioamide
CID 61121627
2-(Ethylsulfonylamino)-2-methylpropanethioamide
CID 61121628
1-(Propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 61122658

Frequently Asked Questions

What is the IUPAC name of 2-(butylsulfonylamino)-2-ethylbutanethioamide?
The IUPAC name of 2-(butylsulfonylamino)-2-ethylbutanethioamide (CID 61123686) is 2-(butylsulfonylamino)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(butylsulfonylamino)-2-ethylbutanethioamide?
The canonical SMILES for 2-(butylsulfonylamino)-2-ethylbutanethioamide is CCCCS(=O)(=O)NC(CC)(CC)C(N)=S.
What is the InChIKey of 2-(butylsulfonylamino)-2-ethylbutanethioamide?
The InChIKey is KCXMZLXYFZYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S2/c1-4-7-8-16(13,14)12-10(5-2,6-3)9(11)15/h12H,4-8H2,1-3H3,(H2,11,15).
What are the key properties of 2-(butylsulfonylamino)-2-ethylbutanethioamide?
2-(butylsulfonylamino)-2-ethylbutanethioamide has a molecular weight of 266.43 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylsulfonylamino)-2-ethylbutanethioamide is sourced from PubChem (CID 61123686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).