2-tert-butylsulfonylethylcarbamic acid

C7H15NO4S — CID 87536259

IUPAC2-tert-butylsulfonylethylcarbamic acid
SMILESCC(C)(C)S(=O)(=O)CCNC(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)13(11,12)5-4-8-6(9)10/h8H,4-5H2,1-3H3,(H,9,10)
InChIKeyGELORPDCOWHEGN-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.47
Rot. Bonds3

About 2-tert-butylsulfonylethylcarbamic acid

2-tert-butylsulfonylethylcarbamic acid (PubChem CID 87536259) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-tert-butylsulfonylethylcarbamic acid.

Molecular Properties

Compound Name2-tert-butylsulfonylethylcarbamic acid
PubChem CID87536259
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-tert-butylsulfonylethylcarbamic acid
SMILESCC(C)(C)S(=O)(=O)CCNC(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)13(11,12)5-4-8-6(9)10/h8H,4-5H2,1-3H3,(H,9,10)
InChIKeyGELORPDCOWHEGN-UHFFFAOYSA-N
XLogP0.47
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;2-methylsulfonylethylcarbamic acid
CID 174924120
2-(carboxyamino)ethanesulfonic acid
CID 22476560
4-amino-N-(2-tert-butylsulfonylethyl)pentanamide
CID 120562745
2-(2-tert-butylsulfonylethylamino)-N-methylacetamide
CID 106723192
2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
tert-butyl N-[2-[[N-(2-tert-butylsulfonylethyl)-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111573404
3-(2-tert-butylsulfonylethylamino)-N-propylpropanamide
CID 106723535
2-(2-tert-butylsulfonylethyl)-1,1-dimethylhydrazine
CID 106724235
1-(2-tert-butylsulfonylethyl)-3-[(3,5-difluorophenyl)methyl]urea
CID 75371389
2-(2-tert-butylsulfonylethylamino)-N,N-diethylacetamide
CID 106724307
2-butyl-1-(2-tert-butylsulfonylethyl)guanidine;hydroiodide
CID 111573966
1-(2-tert-butylsulfonylethyl)-2-(2-methoxyethyl)guanidine
CID 111123490

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfonylethylcarbamic acid?
The IUPAC name of 2-tert-butylsulfonylethylcarbamic acid (CID 87536259) is 2-tert-butylsulfonylethylcarbamic acid.
What is the SMILES notation for 2-tert-butylsulfonylethylcarbamic acid?
The canonical SMILES for 2-tert-butylsulfonylethylcarbamic acid is CC(C)(C)S(=O)(=O)CCNC(=O)O.
What is the InChIKey of 2-tert-butylsulfonylethylcarbamic acid?
The InChIKey is GELORPDCOWHEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,3)13(11,12)5-4-8-6(9)10/h8H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-tert-butylsulfonylethylcarbamic acid?
2-tert-butylsulfonylethylcarbamic acid has a molecular weight of 209.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfonylethylcarbamic acid is sourced from PubChem (CID 87536259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).