N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide

C13H24N2O3S — CID 55168982

IUPACN-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESNC1CCCCCC1NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c14-11-4-2-1-3-5-12(11)15-13(16)8-10-6-7-19(17,18)9-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyDUVXXFOMQJSKEL-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.59
Rot. Bonds3

About N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide

N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 55168982) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID55168982
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESNC1CCCCCC1NC(=O)CC1CCS(=O)(=O)C1
InChIInChI=1S/C13H24N2O3S/c14-11-4-2-1-3-5-12(11)15-13(16)8-10-6-7-19(17,18)9-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyDUVXXFOMQJSKEL-UHFFFAOYSA-N
XLogP0.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide (CID 55168982) is N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide is NC1CCCCCC1NC(=O)CC1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is DUVXXFOMQJSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c14-11-4-2-1-3-5-12(11)15-13(16)8-10-6-7-19(17,18)9-10/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 288.41 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 55168982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).