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

C12H22N2O3S — CID 43179464

IUPACN-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESO=C(CNC1CCS(=O)(=O)C1)NC1CCCCC1
InChIInChI=1S/C12H22N2O3S/c15-12(14-10-4-2-1-3-5-10)8-13-11-6-7-18(16,17)9-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyPGEREPBAFSRYGT-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.21
Rot. Bonds4

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

N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (PubChem CID 43179464) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
PubChem CID43179464
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
SMILESO=C(CNC1CCS(=O)(=O)C1)NC1CCCCC1
InChIInChI=1S/C12H22N2O3S/c15-12(14-10-4-2-1-3-5-10)8-13-11-6-7-18(16,17)9-11/h10-11,13H,1-9H2,(H,14,15)
InChIKeyPGEREPBAFSRYGT-UHFFFAOYSA-N
XLogP0.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide
CID 55024086
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-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide (CID 43179464) is N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is O=C(CNC1CCS(=O)(=O)C1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
The InChIKey is PGEREPBAFSRYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c15-12(14-10-4-2-1-3-5-10)8-13-11-6-7-18(16,17)9-11/h10-11,13H,1-9H2,(H,14,15).
What are the key properties of N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide?
N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide has a molecular weight of 274.39 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1,1-dioxothiolan-3-yl)amino]acetamide is sourced from PubChem (CID 43179464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).