N-(2-adamantyl)thiolan-3-amine

C14H23NS — CID 43224565

IUPACN-(2-adamantyl)thiolan-3-amine
SMILESC1CC(NC2C3CC4CC(C3)CC2C4)CS1
InChIInChI=1S/C14H23NS/c1-2-16-8-13(1)15-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-15H,1-8H2
InChIKeyBASUNXKWULNVCO-UHFFFAOYSA-N
MW237.41 g/mol
LogP2.91
Rot. Bonds2

About N-(2-adamantyl)thiolan-3-amine

N-(2-adamantyl)thiolan-3-amine (PubChem CID 43224565) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-(2-adamantyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-adamantyl)thiolan-3-amine
PubChem CID43224565
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-(2-adamantyl)thiolan-3-amine
SMILESC1CC(NC2C3CC4CC(C3)CC2C4)CS1
InChIInChI=1S/C14H23NS/c1-2-16-8-13(1)15-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-15H,1-8H2
InChIKeyBASUNXKWULNVCO-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)thiolan-3-amine?
The IUPAC name of N-(2-adamantyl)thiolan-3-amine (CID 43224565) is N-(2-adamantyl)thiolan-3-amine.
What is the SMILES notation for N-(2-adamantyl)thiolan-3-amine?
The canonical SMILES for N-(2-adamantyl)thiolan-3-amine is C1CC(NC2C3CC4CC(C3)CC2C4)CS1.
What is the InChIKey of N-(2-adamantyl)thiolan-3-amine?
The InChIKey is BASUNXKWULNVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-2-16-8-13(1)15-14-11-4-9-3-10(6-11)7-12(14)5-9/h9-15H,1-8H2.
What are the key properties of N-(2-adamantyl)thiolan-3-amine?
N-(2-adamantyl)thiolan-3-amine has a molecular weight of 237.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)thiolan-3-amine is sourced from PubChem (CID 43224565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).