N-[1-(1-adamantyl)ethyl]thiolan-3-amine

C16H27NS — CID 43177652

IUPACN-[1-(1-adamantyl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NS/c1-11(17-15-2-3-18-10-15)16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,2-10H2,1H3
InChIKeyLENKONXXQVUUQA-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.69
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]thiolan-3-amine

N-[1-(1-adamantyl)ethyl]thiolan-3-amine (PubChem CID 43177652) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]thiolan-3-amine
PubChem CID43177652
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-[1-(1-adamantyl)ethyl]thiolan-3-amine
SMILESCC(NC1CCSC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H27NS/c1-11(17-15-2-3-18-10-15)16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,2-10H2,1H3
InChIKeyLENKONXXQVUUQA-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(1-adamantyl)ethyl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]thiolan-3-amine?
The IUPAC name of N-[1-(1-adamantyl)ethyl]thiolan-3-amine (CID 43177652) is N-[1-(1-adamantyl)ethyl]thiolan-3-amine.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]thiolan-3-amine?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]thiolan-3-amine is CC(NC1CCSC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]thiolan-3-amine?
The InChIKey is LENKONXXQVUUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-11(17-15-2-3-18-10-15)16-7-12-4-13(8-16)6-14(5-12)9-16/h11-15,17H,2-10H2,1H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]thiolan-3-amine?
N-[1-(1-adamantyl)ethyl]thiolan-3-amine has a molecular weight of 265.47 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 43177652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).