ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate

C12H17NO4S — CID 54135692

IUPACethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-4-17-12(14)13(10(2)3)18(15,16)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyNXNLVEQKJRRTIV-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.24
Rot. Bonds4

About ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate

ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate (PubChem CID 54135692) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
PubChem CID54135692
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate
SMILESCCOC(=O)N(C(C)C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO4S/c1-4-17-12(14)13(10(2)3)18(15,16)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyNXNLVEQKJRRTIV-UHFFFAOYSA-N
XLogP2.24
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 163464803
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Frequently Asked Questions

What is the IUPAC name of ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate?
The IUPAC name of ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate (CID 54135692) is ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate?
The canonical SMILES for ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate is CCOC(=O)N(C(C)C)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate?
The InChIKey is NXNLVEQKJRRTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-17-12(14)13(10(2)3)18(15,16)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate?
ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate has a molecular weight of 271.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(benzenesulfonyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 54135692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).