N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide

C20H28N2O3S — CID 119938723

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C20H28N2O3S/c23-20(11-16-13-26-9-8-21-16)22(17-4-2-1-3-5-17)12-15-6-7-18-19(10-15)25-14-24-18/h6-7,10,16-17,21H,1-5,8-9,11-14H2
InChIKeyLOSBMNVGSOBIFW-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.17
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide (PubChem CID 119938723) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide
PubChem CID119938723
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C20H28N2O3S/c23-20(11-16-13-26-9-8-21-16)22(17-4-2-1-3-5-17)12-15-6-7-18-19(10-15)25-14-24-18/h6-7,10,16-17,21H,1-5,8-9,11-14H2
InChIKeyLOSBMNVGSOBIFW-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylacetamide;hydrochloride
CID 119773859
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-(cyclopropylmethylamino)acetamide
CID 119773858
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-phenylpropanamide
CID 42723798
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119935250
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 18190229
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86887405
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-cyclopentyl-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421018
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide (CID 119938723) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)N(Cc1ccc2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is LOSBMNVGSOBIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c23-20(11-16-13-26-9-8-21-16)22(17-4-2-1-3-5-17)12-15-6-7-18-19(10-15)25-14-24-18/h6-7,10,16-17,21H,1-5,8-9,11-14H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 376.52 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).