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

C13H24N2O3S — CID 65240476

IUPACN-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NC2CCS(=O)(=O)C2)CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-14-13(6-3-2-4-7-13)9-12(16)15-11-5-8-19(17,18)10-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyGMSFUAHRFSHRJZ-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.60
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65240476) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65240476
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)NC2CCS(=O)(=O)C2)CCCCC1
InChIInChI=1S/C13H24N2O3S/c1-14-13(6-3-2-4-7-13)9-12(16)15-11-5-8-19(17,18)10-11/h11,14H,2-10H2,1H3,(H,15,16)
InChIKeyGMSFUAHRFSHRJZ-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

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414
2-[1-(methylamino)cyclohexyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 65240925
N-(1,1-dioxothiolan-3-yl)butanamide
CID 18573523
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
6-[(1,1-dioxothiolan-3-yl)amino]-6-oxohexanoic acid
CID 43529555
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
N-(1,1-dioxothiolan-3-yl)-3-(ethylamino)propanamide
CID 62831905
N-[(1S,2S)-2-hydroxycyclohexyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 107221672
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
2-(1,1-dioxothian-4-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110852811
N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7114858

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65240476) is N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)NC2CCS(=O)(=O)C2)CCCCC1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is GMSFUAHRFSHRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-14-13(6-3-2-4-7-13)9-12(16)15-11-5-8-19(17,18)10-11/h11,14H,2-10H2,1H3,(H,15,16).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]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-(1,1-dioxothiolan-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65240476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).