N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide

C18H32N2O2S — CID 166451751

IUPACN-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide
SMILESCN(C(=O)COCC(=S)N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32N2O2S/c1-19(15-9-5-3-6-10-15)17(21)13-22-14-18(23)20(2)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeyNAYLENLVOOWSQZ-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.39
Rot. Bonds6

About N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide

N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide (PubChem CID 166451751) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide
PubChem CID166451751
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC NameN-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide
SMILESCN(C(=O)COCC(=S)N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H32N2O2S/c1-19(15-9-5-3-6-10-15)17(21)13-22-14-18(23)20(2)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeyNAYLENLVOOWSQZ-UHFFFAOYSA-N
XLogP3.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminoethoxy)-N-cycloheptyl-N-methylacetamide
CID 79474162
N-cyclohexyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604739
N-cyclopentyl-N-methyl-2-propan-2-yloxyacetamide
CID 112686921
N-cycloheptyl-2-hydroxy-N-methylacetamide
CID 130678772
2-(1-aminocyclopentyl)-N-cyclohexyl-N-methylacetamide
CID 64684539
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
CID 115138534
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23768227
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
2-ethoxy-N-methyl-N-(oxan-4-yl)acetamide
CID 64591717
4-amino-N-cyclooctyl-3-methoxy-N-methylbutanamide
CID 120591072
N-cyclobutyl-2-hydroxy-N-methylacetamide
CID 115139792
1-cyclooctyl-1-methylurea
CID 126989312

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide (CID 166451751) is N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide is CN(C(=O)COCC(=S)N(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide?
The InChIKey is NAYLENLVOOWSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-19(15-9-5-3-6-10-15)17(21)13-22-14-18(23)20(2)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide?
N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide has a molecular weight of 340.53 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[cyclohexyl(methyl)amino]-2-sulfanylideneethoxy]-N-methylacetamide is sourced from PubChem (CID 166451751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).