2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C11H20ClNO3S — CID 155804512

IUPAC2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(C)(C)CN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyNMHVAHHYKGXBMY-SECBINFHSA-N
MW281.81 g/mol
LogP1.29
Rot. Bonds3

About 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 155804512) has the molecular formula C11H20ClNO3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID155804512
Molecular FormulaC11H20ClNO3S
Molecular Weight281.81 g/mol
Exact Mass281.09
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCC(C)(C)CN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyNMHVAHHYKGXBMY-SECBINFHSA-N
XLogP1.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 155804512) is 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is CC(C)(C)CN(C(=O)CCl)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is NMHVAHHYKGXBMY-SECBINFHSA-N. The full InChI is InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 281.81 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylpropyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 155804512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).