N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide

C16H21N3OS — CID 4233963

IUPACN-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3OS/c20-14(10-21-15-17-2-1-3-18-15)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,19,20)
InChIKeyLUNNKYQHNDGNMW-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.65
Rot. Bonds4

About N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 4233963) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID4233963
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H21N3OS/c20-14(10-21-15-17-2-1-3-18-15)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,19,20)
InChIKeyLUNNKYQHNDGNMW-UHFFFAOYSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16303703
N-adamantanyl(4-pyrimidin-2-ylpiperazinyl)carboxamide
CID 4920968
N-(1-adamantyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide;trihydrochloride
CID 45265621
1-(1-Adamantyl)-3-pyrimidin-4-yl-urea
CID 71602843
N-(1-cyanocyclohexyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 4819460
N-Adamantan-1-yl-3-(4-pyrimidin-2-yl-piperazin-1-yl)-propionamide; Trihydrochloride
CID 9820675
N-(1-adamantyl)-3-(pyrimidin-2-ylamino)propanamide
CID 40163755
1-(1-Adamantyl)-3-pyrimidin-2-yl-urea
CID 71602842
N-[1-(1-adamantyl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4991617
2-(1-adamantylthio)-N-[1-(2-pyrimidinyl)-3-piperidinyl]acetamide
CID 56889303
(2R)-N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 33754280
(2S)-N-(1-adamantylcarbamoyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 33754292

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 4233963) is N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is LUNNKYQHNDGNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c20-14(10-21-15-17-2-1-3-18-15)19-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2,(H,19,20).
What are the key properties of N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 303.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 4233963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).