2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide

C11H20N2O3S — CID 79851189

IUPAC2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide
SMILESNC1(CC(=O)NC2CCS(=O)(=O)CC2)CCC1
InChIInChI=1S/C11H20N2O3S/c12-11(4-1-5-11)8-10(14)13-9-2-6-17(15,16)7-3-9/h9H,1-8,12H2,(H,13,14)
InChIKeyWGZFZACHLHBVPN-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.05
Rot. Bonds3

About 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide

2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide (PubChem CID 79851189) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide
PubChem CID79851189
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide
SMILESNC1(CC(=O)NC2CCS(=O)(=O)CC2)CCC1
InChIInChI=1S/C11H20N2O3S/c12-11(4-1-5-11)8-10(14)13-9-2-6-17(15,16)7-3-9/h9H,1-8,12H2,(H,13,14)
InChIKeyWGZFZACHLHBVPN-UHFFFAOYSA-N
XLogP-0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide (CID 79851189) is 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide is NC1(CC(=O)NC2CCS(=O)(=O)CC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide?
The InChIKey is WGZFZACHLHBVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c12-11(4-1-5-11)8-10(14)13-9-2-6-17(15,16)7-3-9/h9H,1-8,12H2,(H,13,14).
What are the key properties of 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide?
2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide has a molecular weight of 260.36 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(1,1-dioxothian-4-yl)acetamide is sourced from PubChem (CID 79851189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).