2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate

C7H16N2O5S — CID 175090870

IUPAC2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate
SMILESCC(C)(C)N(C(=O)OCCO)S(N)(=O)=O
InChIInChI=1S/C7H16N2O5S/c1-7(2,3)9(15(8,12)13)6(11)14-5-4-10/h10H,4-5H2,1-3H3,(H2,8,12,13)
InChIKeyVKTWMPMMCDSKMT-UHFFFAOYSA-N
MW240.28 g/mol
LogP-0.58
Rot. Bonds3

About 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate

2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate (PubChem CID 175090870) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate
PubChem CID175090870
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate
SMILESCC(C)(C)N(C(=O)OCCO)S(N)(=O)=O
InChIInChI=1S/C7H16N2O5S/c1-7(2,3)9(15(8,12)13)6(11)14-5-4-10/h10H,4-5H2,1-3H3,(H2,8,12,13)
InChIKeyVKTWMPMMCDSKMT-UHFFFAOYSA-N
XLogP-0.58
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate?
The IUPAC name of 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate (CID 175090870) is 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate is CC(C)(C)N(C(=O)OCCO)S(N)(=O)=O.
What is the InChIKey of 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate?
The InChIKey is VKTWMPMMCDSKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-7(2,3)9(15(8,12)13)6(11)14-5-4-10/h10H,4-5H2,1-3H3,(H2,8,12,13).
What are the key properties of 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate?
2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate has a molecular weight of 240.28 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-tert-butyl-N-sulfamoylcarbamate is sourced from PubChem (CID 175090870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).