tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide

C11H24N2O5S — CID 69266521

IUPACtert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NC(=O)O.CC(C)(O)C1(S(N)(=O)=O)CC1
InChIInChI=1S/C6H13NO3S.C5H11NO2/c1-5(2,8)6(3-4-6)11(7,9)10;1-5(2,3)6-4(7)8/h8H,3-4H2,1-2H3,(H2,7,9,10);6H,1-3H3,(H,7,8)
InChIKeyQCWGQNAEHBYHTC-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.63
Rot. Bonds2

About tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide

tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide (PubChem CID 69266521) has the molecular formula C11H24N2O5S and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound Nametert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide
PubChem CID69266521
Molecular FormulaC11H24N2O5S
Molecular Weight296.39 g/mol
Exact Mass296.14
IUPAC Nametert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide
SMILESCC(C)(C)NC(=O)O.CC(C)(O)C1(S(N)(=O)=O)CC1
InChIInChI=1S/C6H13NO3S.C5H11NO2/c1-5(2,8)6(3-4-6)11(7,9)10;1-5(2,3)6-4(7)8/h8H,3-4H2,1-2H3,(H2,7,9,10);6H,1-3H3,(H,7,8)
InChIKeyQCWGQNAEHBYHTC-UHFFFAOYSA-N
XLogP0.63
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide?
The IUPAC name of tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide (CID 69266521) is tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide.
What is the SMILES notation for tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide?
The canonical SMILES for tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide is CC(C)(C)NC(=O)O.CC(C)(O)C1(S(N)(=O)=O)CC1.
What is the InChIKey of tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide?
The InChIKey is QCWGQNAEHBYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.C5H11NO2/c1-5(2,8)6(3-4-6)11(7,9)10;1-5(2,3)6-4(7)8/h8H,3-4H2,1-2H3,(H2,7,9,10);6H,1-3H3,(H,7,8).
What are the key properties of tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide?
tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide has a molecular weight of 296.39 g/mol, XLogP of 0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcarbamic acid;1-(2-hydroxypropan-2-yl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 69266521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).