N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide

C11H22N2O3S — CID 81038397

IUPACN-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCC1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)13-10(14)8-12-7-9-5-4-6-17(9,15)16/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyBTPPVMZWFFAZOU-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.07
Rot. Bonds4

About N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide

N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide (PubChem CID 81038397) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
PubChem CID81038397
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide
SMILESCC(C)(C)NC(=O)CNCC1CCCS1(=O)=O
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)13-10(14)8-12-7-9-5-4-6-17(9,15)16/h9,12H,4-8H2,1-3H3,(H,13,14)
InChIKeyBTPPVMZWFFAZOU-UHFFFAOYSA-N
XLogP0.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide (CID 81038397) is N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide is CC(C)(C)NC(=O)CNCC1CCCS1(=O)=O.
What is the InChIKey of N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
The InChIKey is BTPPVMZWFFAZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)13-10(14)8-12-7-9-5-4-6-17(9,15)16/h9,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide?
N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide has a molecular weight of 262.37 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1,1-dioxothiolan-2-yl)methylamino]acetamide is sourced from PubChem (CID 81038397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).