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

C18H33N3O3S — CID 119919657

IUPACN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C18H33N3O3S/c1-19-15-6-5-10-20(12-15)13-18(22)21(16-7-3-2-4-8-16)17-9-11-25(23,24)14-17/h15-17,19H,2-14H2,1H3
InChIKeySEDBGVOUDGXZJO-UHFFFAOYSA-N
MW371.55 g/mol
LogP1.02
Rot. Bonds5

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

N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide (PubChem CID 119919657) has the molecular formula C18H33N3O3S and a molecular weight of 371.55 g/mol. Its IUPAC name is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
PubChem CID119919657
Molecular FormulaC18H33N3O3S
Molecular Weight371.55 g/mol
Exact Mass371.22
IUPAC NameN-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide
SMILESCNC1CCCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)C1
InChIInChI=1S/C18H33N3O3S/c1-19-15-6-5-10-20(12-15)13-18(22)21(16-7-3-2-4-8-16)17-9-11-25(23,24)14-17/h15-17,19H,2-14H2,1H3
InChIKeySEDBGVOUDGXZJO-UHFFFAOYSA-N
XLogP1.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 55353747
2-(4-cyanopiperidin-1-yl)-N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 48940020
tert-butyl 4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55482342
N-cyclopentyl-2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42961087
N-cyclopropyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546013
[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55701508
N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 43061886
N,N-dicyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 94191195
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
CID 86953436
N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(triazol-1-yl)acetamide
CID 164640200
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide (CID 119919657) is N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide is CNC1CCCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
The InChIKey is SEDBGVOUDGXZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3S/c1-19-15-6-5-10-20(12-15)13-18(22)21(16-7-3-2-4-8-16)17-9-11-25(23,24)14-17/h15-17,19H,2-14H2,1H3.
What are the key properties of N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide?
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide has a molecular weight of 371.55 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-2-[3-(methylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 119919657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).