N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide

C15H24N2OS — CID 82104197

IUPACN-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide
SMILESCC(=O)N(CCC(N)=S)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2OS/c1-10(18)17(3-2-14(16)19)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3,(H2,16,19)
InChIKeyFCXWBHXVWRMVSG-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.48
Rot. Bonds4

About N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide

N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide (PubChem CID 82104197) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide
PubChem CID82104197
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide
SMILESCC(=O)N(CCC(N)=S)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H24N2OS/c1-10(18)17(3-2-14(16)19)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3,(H2,16,19)
InChIKeyFCXWBHXVWRMVSG-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propionamide, N-(1-adamantyl)-3-(diethylamino)-
CID 64222
Propionamide, N-1-adamantyl-3-(dimethylamino)-, monohydrochloride
CID 64241
Propionamide, N-(1-adamantyl)-3-(dimethylamino)-
CID 64242
[3-(1-Adamantylamino)-3-oxopropyl]-trimethylazanium
CID 64220
N-[3-(dimethylamino)-1-adamantyl]acetamide
CID 18410464
N'-(1-adamantyl)-N'-methylpropanediamide
CID 69942615
N-(3-amino-3-sulfanylidenepropyl)-N-methyladamantane-1-carboxamide
CID 28387616
N-[1-(1-adamantyl)ethyl]-3-amino-3-sulfanylidenepropanamide
CID 43120419
3-(1-adamantylamino)-N,N-dimethylpropanamide
CID 54879253
3-(1-Adamantyl)-1-(3-amino-3-sulfanylidenepropyl)-1-ethylurea
CID 61576458
3-(1-Adamantyl)-1-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-methylurea
CID 61577607
N-(Adamantan-1-yl)-3-amino-2,2-dimethyl-3-sulfanylidenepropanamide
CID 61841879

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide?
The IUPAC name of N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide (CID 82104197) is N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide.
What is the SMILES notation for N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide?
The canonical SMILES for N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide is CC(=O)N(CCC(N)=S)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide?
The InChIKey is FCXWBHXVWRMVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-10(18)17(3-2-14(16)19)15-7-11-4-12(8-15)6-13(5-11)9-15/h11-13H,2-9H2,1H3,(H2,16,19).
What are the key properties of N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide?
N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide has a molecular weight of 280.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-(3-amino-3-sulfanylidenepropyl)acetamide is sourced from PubChem (CID 82104197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).