N-(1-adamantyl)-2-cyclohexylsulfanylacetamide

C18H29NOS — CID 8705689

IUPACN-(1-adamantyl)-2-cyclohexylsulfanylacetamide
SMILESO=C(CSC1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NOS/c20-17(12-21-16-4-2-1-3-5-16)19-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,19,20)
InChIKeySKYZPTNOAWSRKG-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.14
Rot. Bonds4

About N-(1-adamantyl)-2-cyclohexylsulfanylacetamide

N-(1-adamantyl)-2-cyclohexylsulfanylacetamide (PubChem CID 8705689) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-(1-adamantyl)-2-cyclohexylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-cyclohexylsulfanylacetamide
PubChem CID8705689
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-(1-adamantyl)-2-cyclohexylsulfanylacetamide
SMILESO=C(CSC1CCCCC1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29NOS/c20-17(12-21-16-4-2-1-3-5-16)19-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,19,20)
InChIKeySKYZPTNOAWSRKG-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylcarbamoyl)-2-cyclopentylsulfanylacetamide
CID 4821581
N-(1-adamantyl)-2-cyclohexylacetamide
CID 23739251
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653
N-(1-adamantyl)-2-piperidin-1-ylacetamide chloride
CID 21236481
N,2-bis(1-adamantyl)acetamide
CID 3906383
1-(1-adamantyl)-3-cyclododecylurea
CID 22978783
N-(1-adamantyl)-2-(dimethylaminooxy)acetamide
CID 161464424
N-(1-adamantyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 11601752
(2R)-2-[2-(1-adamantylamino)-2-oxoethyl]sulfanylbutanedioate
CID 2374958
N-(1-adamantyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 3948880
N-(1-adamantyl)-3-bromopropanamide;hydrochloride
CID 19855241
N-(cyclohexylcarbamoyl)-2-cyclohexylsulfanylacetamide
CID 8705522

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-cyclohexylsulfanylacetamide?
The IUPAC name of N-(1-adamantyl)-2-cyclohexylsulfanylacetamide (CID 8705689) is N-(1-adamantyl)-2-cyclohexylsulfanylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-cyclohexylsulfanylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-cyclohexylsulfanylacetamide is O=C(CSC1CCCCC1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-cyclohexylsulfanylacetamide?
The InChIKey is SKYZPTNOAWSRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c20-17(12-21-16-4-2-1-3-5-16)19-18-9-13-6-14(10-18)8-15(7-13)11-18/h13-16H,1-12H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-2-cyclohexylsulfanylacetamide?
N-(1-adamantyl)-2-cyclohexylsulfanylacetamide has a molecular weight of 307.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-cyclohexylsulfanylacetamide is sourced from PubChem (CID 8705689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).