N-(1-adamantyl)thiophen-2-amine

C14H19NS — CID 66922452

IUPACN-(1-adamantyl)thiophen-2-amine
SMILESc1csc(NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H19NS/c1-2-13(16-3-1)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12,15H,4-9H2
InChIKeyWSKMGMHLUKBBHJ-UHFFFAOYSA-N
MW233.38 g/mol
LogP4.13
Rot. Bonds2

About N-(1-adamantyl)thiophen-2-amine

N-(1-adamantyl)thiophen-2-amine (PubChem CID 66922452) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(1-adamantyl)thiophen-2-amine.

Molecular Properties

Compound NameN-(1-adamantyl)thiophen-2-amine
PubChem CID66922452
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(1-adamantyl)thiophen-2-amine
SMILESc1csc(NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C14H19NS/c1-2-13(16-3-1)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12,15H,4-9H2
InChIKeyWSKMGMHLUKBBHJ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)thiophen-2-amine?
The IUPAC name of N-(1-adamantyl)thiophen-2-amine (CID 66922452) is N-(1-adamantyl)thiophen-2-amine.
What is the SMILES notation for N-(1-adamantyl)thiophen-2-amine?
The canonical SMILES for N-(1-adamantyl)thiophen-2-amine is c1csc(NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)thiophen-2-amine?
The InChIKey is WSKMGMHLUKBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-2-13(16-3-1)15-14-7-10-4-11(8-14)6-12(5-10)9-14/h1-3,10-12,15H,4-9H2.
What are the key properties of N-(1-adamantyl)thiophen-2-amine?
N-(1-adamantyl)thiophen-2-amine has a molecular weight of 233.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)thiophen-2-amine is sourced from PubChem (CID 66922452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).