N-(1-adamantyl)pentanethioamide

C15H25NS — CID 132965928

IUPACN-(1-adamantyl)pentanethioamide
SMILESCCCCC(=S)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NS/c1-2-3-4-14(17)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyPTVJCLNRPOYOJW-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.06
Rot. Bonds4

About N-(1-adamantyl)pentanethioamide

N-(1-adamantyl)pentanethioamide (PubChem CID 132965928) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-(1-adamantyl)pentanethioamide.

Molecular Properties

Compound NameN-(1-adamantyl)pentanethioamide
PubChem CID132965928
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-(1-adamantyl)pentanethioamide
SMILESCCCCC(=S)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H25NS/c1-2-3-4-14(17)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyPTVJCLNRPOYOJW-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-3-butylthiourea
CID 2828011
N-(1-adamantyl)hexanamide
CID 4687392
N-(1-adamantyl)nonanamide
CID 4685611
O-propyl N-(1-adamantyl)carbamothioate
CID 2827998
1-(1-adamantyl)-3-hexylurea
CID 102308549
1-adamantylcarbamodithioic acid
CID 71677626
1-(1-adamantyl)pentan-1-one
CID 526927
sodium N-(1-adamantyl)carbamodithioate
CID 71677625
1-(1-adamantyl)-3-(6-oxooctyl)urea
CID 58239524
1-(1-adamantyl)-3-(4-hydroxydecyl)urea
CID 11772500
2-(1-adamantylamino)-N-butylacetamide
CID 60671078
N'-(1-adamantyl)-N-methylheptanediamide
CID 90206132

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)pentanethioamide?
The IUPAC name of N-(1-adamantyl)pentanethioamide (CID 132965928) is N-(1-adamantyl)pentanethioamide.
What is the SMILES notation for N-(1-adamantyl)pentanethioamide?
The canonical SMILES for N-(1-adamantyl)pentanethioamide is CCCCC(=S)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)pentanethioamide?
The InChIKey is PTVJCLNRPOYOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-2-3-4-14(17)16-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of N-(1-adamantyl)pentanethioamide?
N-(1-adamantyl)pentanethioamide has a molecular weight of 251.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)pentanethioamide is sourced from PubChem (CID 132965928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).