N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide

C12H23NO3S — CID 64867215

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO3S/c1-16-7-8-17-9-11(14)13-10-12(15)5-3-2-4-6-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyVVMPGZZYZPMFGK-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.18
Rot. Bonds7

About N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 64867215) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID64867215
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide
SMILESCOCCSCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO3S/c1-16-7-8-17-9-11(14)13-10-12(15)5-3-2-4-6-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyVVMPGZZYZPMFGK-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109886593
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 64195687
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64196205
N-[(1-hydroxycyclopentyl)methyl]-2-methylsulfanylacetamide
CID 64196531
N-[(1-hydroxycyclopentyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 64196700
2-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64197699
2-tert-butylsulfanyl-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 64444465
N-[(1-hydroxycycloheptyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 64458109
N-[(1-hydroxycycloheptyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide
CID 64460123
2-tert-butylsulfanyl-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64866557
N-[(1-hydroxycyclohexyl)methyl]-2-methylsulfanylacetamide
CID 64867836
2-tert-butylsulfanyl-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64913015

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide (CID 64867215) is N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide is COCCSCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is VVMPGZZYZPMFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-16-7-8-17-9-11(14)13-10-12(15)5-3-2-4-6-12/h15H,2-10H2,1H3,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 261.39 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 64867215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).