N-(3-methyl-1-adamantyl)thiophen-3-amine

C15H21NS — CID 57474431

IUPACN-(3-methyl-1-adamantyl)thiophen-3-amine
SMILESCC12CC3CC(C1)CC(Nc1ccsc1)(C3)C2
InChIInChI=1S/C15H21NS/c1-14-5-11-4-12(6-14)8-15(7-11,10-14)16-13-2-3-17-9-13/h2-3,9,11-12,16H,4-8,10H2,1H3
InChIKeyXWPRNTSQYRWIPC-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.52
Rot. Bonds2

About N-(3-methyl-1-adamantyl)thiophen-3-amine

N-(3-methyl-1-adamantyl)thiophen-3-amine (PubChem CID 57474431) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-(3-methyl-1-adamantyl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-methyl-1-adamantyl)thiophen-3-amine
PubChem CID57474431
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-(3-methyl-1-adamantyl)thiophen-3-amine
SMILESCC12CC3CC(C1)CC(Nc1ccsc1)(C3)C2
InChIInChI=1S/C15H21NS/c1-14-5-11-4-12(6-14)8-15(7-11,10-14)16-13-2-3-17-9-13/h2-3,9,11-12,16H,4-8,10H2,1H3
InChIKeyXWPRNTSQYRWIPC-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-adamantyl)thiophen-3-amine?
The IUPAC name of N-(3-methyl-1-adamantyl)thiophen-3-amine (CID 57474431) is N-(3-methyl-1-adamantyl)thiophen-3-amine.
What is the SMILES notation for N-(3-methyl-1-adamantyl)thiophen-3-amine?
The canonical SMILES for N-(3-methyl-1-adamantyl)thiophen-3-amine is CC12CC3CC(C1)CC(Nc1ccsc1)(C3)C2.
What is the InChIKey of N-(3-methyl-1-adamantyl)thiophen-3-amine?
The InChIKey is XWPRNTSQYRWIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-14-5-11-4-12(6-14)8-15(7-11,10-14)16-13-2-3-17-9-13/h2-3,9,11-12,16H,4-8,10H2,1H3.
What are the key properties of N-(3-methyl-1-adamantyl)thiophen-3-amine?
N-(3-methyl-1-adamantyl)thiophen-3-amine has a molecular weight of 247.41 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-adamantyl)thiophen-3-amine is sourced from PubChem (CID 57474431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).