N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide

C19H31NOS — CID 4822005

IUPACN-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
SMILESCC(NC(=O)CSC1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NOS/c1-13(20-18(21)12-22-17-4-2-3-5-17)19-9-14-6-15(10-19)8-16(7-14)11-19/h13-17H,2-12H2,1H3,(H,20,21)
InChIKeyXYVIPIDIWFCUSP-UHFFFAOYSA-N
MW321.53 g/mol
LogP4.38
Rot. Bonds5

About N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide

N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide (PubChem CID 4822005) has the molecular formula C19H31NOS and a molecular weight of 321.53 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
PubChem CID4822005
Molecular FormulaC19H31NOS
Molecular Weight321.53 g/mol
Exact Mass321.21
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
SMILESCC(NC(=O)CSC1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NOS/c1-13(20-18(21)12-22-17-4-2-3-5-17)19-9-14-6-15(10-19)8-16(7-14)11-19/h13-17H,2-12H2,1H3,(H,20,21)
InChIKeyXYVIPIDIWFCUSP-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 12006216
2-(1-Adamantyl)-1,3-thiazolidin-4-one
CID 6620944
Adamantylmethylthiazolidin-4-one
CID 129870604
2-(1-adamantylsulfanyl)-N-cyclopropylacetamide
CID 8512897
S-[3-(2-adamantylamino)-3-oxopropyl] ethanethioate
CID 14499990
N-(thian-4-yl)adamantane-1-carboxamide
CID 128958806
N-(4-methylsulfanylcyclohexyl)adamantane-1-carboxamide
CID 171577258
2-(1-Adamantyl)-2-methyl-1,3-thiazolidin-4-one
CID 2828188
N-[1-(1-adamantyl)ethyl]-3-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]sulfanylpropanamide
CID 3650263
2-(1-Adamantyl)-2-ethyl-1,3-thiazolidin-4-one
CID 5234584
N-2-Adamantyl-2-[(2-aminoethyl)thio]acetamide hydrochloride
CID 6610605
N-[(1S)-1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide
CID 7395653

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide (CID 4822005) is N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide is CC(NC(=O)CSC1CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide?
The InChIKey is XYVIPIDIWFCUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NOS/c1-13(20-18(21)12-22-17-4-2-3-5-17)19-9-14-6-15(10-19)8-16(7-14)11-19/h13-17H,2-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide?
N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide has a molecular weight of 321.53 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-cyclopentylsulfanylacetamide is sourced from PubChem (CID 4822005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).