N-(dimethylcarbamothioyl)adamantane-1-carboxamide

C14H22N2OS — CID 54787714

IUPACN-(dimethylcarbamothioyl)adamantane-1-carboxamide
SMILESCN(C)C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22N2OS/c1-16(2)13(18)15-12(17)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyTUYVHBJEWHUSKL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.17
Rot. Bonds1

About N-(dimethylcarbamothioyl)adamantane-1-carboxamide

N-(dimethylcarbamothioyl)adamantane-1-carboxamide (PubChem CID 54787714) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(dimethylcarbamothioyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamothioyl)adamantane-1-carboxamide
PubChem CID54787714
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(dimethylcarbamothioyl)adamantane-1-carboxamide
SMILESCN(C)C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H22N2OS/c1-16(2)13(18)15-12(17)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyTUYVHBJEWHUSKL-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.17
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

N-(2-methylbutan-2-ylcarbamothioyl)adamantane-1-carboxamide
CID 54787722
N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
CID 2830735
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
methyl 2-(adamantane-1-carbonylamino)prop-2-enoate
CID 101073434
N-[2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 3041449
(1S,8R)-N-(tert-butylcarbamothioyl)tricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 769521
N-(2-amino-2-sulfanylideneethyl)adamantane-1-carboxamide
CID 61126891
N-[(3,4-dichlorophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787579
(3R,6R)-N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 6345940
N-[(4-bromophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787547
N-[(2,5-dichlorophenyl)carbamothioyl]adamantane-1-carboxamide
CID 54787498
N-[2-(dimethylamino)ethyl]tricyclo[4.3.1.13,8]undecane-1-carboxamide;hydrochloride
CID 5340149

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamothioyl)adamantane-1-carboxamide?
The IUPAC name of N-(dimethylcarbamothioyl)adamantane-1-carboxamide (CID 54787714) is N-(dimethylcarbamothioyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(dimethylcarbamothioyl)adamantane-1-carboxamide?
The canonical SMILES for N-(dimethylcarbamothioyl)adamantane-1-carboxamide is CN(C)C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(dimethylcarbamothioyl)adamantane-1-carboxamide?
The InChIKey is TUYVHBJEWHUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-16(2)13(18)15-12(17)14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,3-8H2,1-2H3,(H,15,17,18).
What are the key properties of N-(dimethylcarbamothioyl)adamantane-1-carboxamide?
N-(dimethylcarbamothioyl)adamantane-1-carboxamide has a molecular weight of 266.41 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamothioyl)adamantane-1-carboxamide is sourced from PubChem (CID 54787714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).