tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate

C11H17NO4S2 — CID 1484597

IUPACtert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-11(2,3)16-10(13)12(18(4,14)15)8-9-6-5-7-17-9/h5-7H,8H2,1-4H3
InChIKeyLBXJDLYOMCLUFO-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.44
Rot. Bonds3

About tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate

tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate (PubChem CID 1484597) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate
PubChem CID1484597
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Nametert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C11H17NO4S2/c1-11(2,3)16-10(13)12(18(4,14)15)8-9-6-5-7-17-9/h5-7H,8H2,1-4H3
InChIKeyLBXJDLYOMCLUFO-UHFFFAOYSA-N
XLogP2.44
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate (CID 1484597) is tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate is CC(C)(C)OC(=O)N(Cc1cccs1)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate?
The InChIKey is LBXJDLYOMCLUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-11(2,3)16-10(13)12(18(4,14)15)8-9-6-5-7-17-9/h5-7H,8H2,1-4H3.
What are the key properties of tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate?
tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate has a molecular weight of 291.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methylsulfonyl-N-(thiophen-2-ylmethyl)carbamate is sourced from PubChem (CID 1484597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).