N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

C18H33N3O2S — CID 140622010

IUPACN-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2NCCCN2)CC1
InChIInChI=1S/C18H33N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-2-11-24-16)18-19-9-3-10-20-18/h14-16,18-20H,2-13H2,1H3
InChIKeyHGCQSKFKUIUQKT-UHFFFAOYSA-N
MW355.55 g/mol
LogP2.17
Rot. Bonds6

About N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide

N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 140622010) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
PubChem CID140622010
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC NameN-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
SMILESCC1CCC(OCC(=O)N(CC2CCCS2)C2NCCCN2)CC1
InChIInChI=1S/C18H33N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-2-11-24-16)18-19-9-3-10-20-18/h14-16,18-20H,2-13H2,1H3
InChIKeyHGCQSKFKUIUQKT-UHFFFAOYSA-N
XLogP2.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)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-(2-chlorocyclohexyl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621953
2-(4-methoxycyclohexyl)oxy-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 140622055
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yloxy)-N-(3-methylpyrazolidin-4-yl)-N-(thiolan-2-ylmethyl)acetamide
CID 140622021
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-[(3-methylthiolan-2-yl)methyl]acetamide
CID 140622067
2-(4-chlorophenoxy)-N-piperidin-2-yl-N-(thiolan-2-ylmethyl)acetamide
CID 135208172
N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621968
N-cyclohexyl-2-(4-methylcyclohexyl)oxy-N-propan-2-ylacetamide
CID 140621937
N-ethyl-2-(4-methylcyclohexyl)oxy-N-[(3-pentyl-1,3-thiazolidin-2-yl)methyl]acetamide
CID 163441915
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
N-(cyclopentylmethyl)-N-methyl-2-piperidin-4-yloxyacetamide
CID 63876248
N-cyclopropyl-2-piperidin-4-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 63876755
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide (CID 140622010) is N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is CC1CCC(OCC(=O)N(CC2CCCS2)C2NCCCN2)CC1.
What is the InChIKey of N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is HGCQSKFKUIUQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c1-14-5-7-15(8-6-14)23-13-17(22)21(12-16-4-2-11-24-16)18-19-9-3-10-20-18/h14-16,18-20H,2-13H2,1H3.
What are the key properties of N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide?
N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 355.55 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diazinan-2-yl)-2-(4-methylcyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 140622010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).