tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate

C9H19NO5S — CID 15539257

IUPACtert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCS(=O)(=O)CCO
InChIInChI=1S/C9H19NO5S/c1-9(2,3)15-8(12)10-4-6-16(13,14)7-5-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyBHYGDWGGIGRORN-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.08
Rot. Bonds5

About tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate

tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate (PubChem CID 15539257) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate
PubChem CID15539257
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Nametert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCS(=O)(=O)CCO
InChIInChI=1S/C9H19NO5S/c1-9(2,3)15-8(12)10-4-6-16(13,14)7-5-11/h11H,4-7H2,1-3H3,(H,10,12)
InChIKeyBHYGDWGGIGRORN-UHFFFAOYSA-N
XLogP-0.08
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate (CID 15539257) is tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCS(=O)(=O)CCO.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate?
The InChIKey is BHYGDWGGIGRORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-9(2,3)15-8(12)10-4-6-16(13,14)7-5-11/h11H,4-7H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate?
tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate has a molecular weight of 253.32 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyethylsulfonyl)ethyl]carbamate is sourced from PubChem (CID 15539257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).