2-(1-adamantylsulfanyl)acetamide

C12H19NOS — CID 2828179

IUPAC2-(1-adamantylsulfanyl)acetamide
SMILESNC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NOS/c13-11(14)7-15-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14)
InChIKeyMJRXSSKFERCIGJ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.17
Rot. Bonds3

About 2-(1-adamantylsulfanyl)acetamide

2-(1-adamantylsulfanyl)acetamide (PubChem CID 2828179) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(1-adamantylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantylsulfanyl)acetamide
PubChem CID2828179
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-(1-adamantylsulfanyl)acetamide
SMILESNC(=O)CSC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H19NOS/c13-11(14)7-15-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14)
InChIKeyMJRXSSKFERCIGJ-UHFFFAOYSA-N
XLogP2.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(1-adamantylsulfanylmethyl)prop-2-enoate
CID 10858902
adamantane-1-carboxamide
CID 21686
2-(1-adamantylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 8512864
2-(1-adamantylsulfanyl)-N-(2,5-difluorophenyl)acetamide
CID 8513122
2-(1-adamantylsulfanyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 8513275
2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8513527
N-(3-acetylphenyl)-2-(1-adamantylsulfanyl)acetamide
CID 8512794
7-(1-adamantyl)heptanamide
CID 173130136
2-(1-adamantylsulfanyl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9478177
2-(1-adamantylsulfanyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8513676
adamantane;urea
CID 68761520
1-[3-[2-(1-adamantylsulfanyl)acetyl]phenyl]pyrrolidin-2-one
CID 8513753

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylsulfanyl)acetamide?
The IUPAC name of 2-(1-adamantylsulfanyl)acetamide (CID 2828179) is 2-(1-adamantylsulfanyl)acetamide.
What is the SMILES notation for 2-(1-adamantylsulfanyl)acetamide?
The canonical SMILES for 2-(1-adamantylsulfanyl)acetamide is NC(=O)CSC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylsulfanyl)acetamide?
The InChIKey is MJRXSSKFERCIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c13-11(14)7-15-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H2,13,14).
What are the key properties of 2-(1-adamantylsulfanyl)acetamide?
2-(1-adamantylsulfanyl)acetamide has a molecular weight of 225.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylsulfanyl)acetamide is sourced from PubChem (CID 2828179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).