N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide

C13H24N2O3S — CID 55024086

IUPACN-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESO=C(CNC1CCS(=O)(=O)C1)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3S/c16-13(15-11-5-3-1-2-4-6-11)9-14-12-7-8-19(17,18)10-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyXSBGOLJEWMVLFM-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.60
Rot. Bonds4

About N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide

N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 55024086) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID55024086
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESO=C(CNC1CCS(=O)(=O)C1)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3S/c16-13(15-11-5-3-1-2-4-6-11)9-14-12-7-8-19(17,18)10-12/h11-12,14H,1-10H2,(H,15,16)
InChIKeyXSBGOLJEWMVLFM-UHFFFAOYSA-N
XLogP0.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 43179464
N-cyclohexyl-2-[(1,1-dioxothian-3-yl)amino]acetamide
CID 63921753
2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide
CID 60847953
N-cycloheptyl-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222590
N-(1,1-dioxothiolan-3-yl)-2-[2-(1,1-dioxothiolan-3-yl)hydrazinyl]acetamide
CID 18801502
N-cyclopentyl-2-(1,1-dioxothiolan-3-yl)acetamide
CID 3538538
2-N-cycloheptyl-1-N-(1,1-dioxothiolan-3-yl)cyclopropane-1,2-dicarboxamide
CID 109138181
N-cyclohexyl-2-(thian-4-ylamino)acetamide
CID 115621808
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide
CID 111141509
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46559066
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111141508

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (CID 55024086) is N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is O=C(CNC1CCS(=O)(=O)C1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is XSBGOLJEWMVLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c16-13(15-11-5-3-1-2-4-6-11)9-14-12-7-8-19(17,18)10-12/h11-12,14H,1-10H2,(H,15,16).
What are the key properties of N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide has a molecular weight of 288.41 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 55024086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).