N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide

C13H20N2OS — CID 61126891

IUPACN-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
SMILESNC(=S)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N2OS/c14-11(17)7-15-12(16)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,14,17)(H,15,16)
InChIKeyKYSAUERKBVNXRI-UHFFFAOYSA-N
MW252.38 g/mol
LogP1.61
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide

N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide (PubChem CID 61126891) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
PubChem CID61126891
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
SMILESNC(=S)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20N2OS/c14-11(17)7-15-12(16)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,14,17)(H,15,16)
InChIKeyKYSAUERKBVNXRI-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-3-(2-amino-2-sulfanylideneethyl)urea
CID 61127673
N-(3-aminopropyl)adamantane-1-carboxamide
CID 3117359
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
N-(3-amino-3-hydroxyiminopropyl)adamantane-1-carboxamide
CID 76952741
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18118534
(2-amino-2-oxoethyl) 3-(adamantane-1-carbonylamino)propanoate
CID 8528535
N-[(2R)-2-hydroxypropyl]adamantane-1-carboxamide
CID 7106778
ethyl 4-[2-(adamantane-1-carbonylamino)acetyl]piperazine-1-carboxylate
CID 3971663
N-(3-amino-3-hydroxyimino-2-methylpropyl)adamantane-1-carboxamide
CID 76952901
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18106489
N-(2-hydroxy-2,3-dimethylbutyl)adamantane-1-carboxamide
CID 111483676
adamantane-1-carboxamide
CID 21686

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide (CID 61126891) is N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide is NC(=S)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide?
The InChIKey is KYSAUERKBVNXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c14-11(17)7-15-12(16)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H2,14,17)(H,15,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide?
N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide has a molecular weight of 252.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide is sourced from PubChem (CID 61126891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).