2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide

C14H26N2OS — CID 104678464

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide
SMILESNCC1(CC(=O)NCC2CCCS2)CCCCC1
InChIInChI=1S/C14H26N2OS/c15-11-14(6-2-1-3-7-14)9-13(17)16-10-12-5-4-8-18-12/h12H,1-11,15H2,(H,16,17)
InChIKeyINPLLSNMJZQLHM-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.30
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 104678464) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide
PubChem CID104678464
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide
SMILESNCC1(CC(=O)NCC2CCCS2)CCCCC1
InChIInChI=1S/C14H26N2OS/c15-11-14(6-2-1-3-7-14)9-13(17)16-10-12-5-4-8-18-12/h12H,1-11,15H2,(H,16,17)
InChIKeyINPLLSNMJZQLHM-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide (CID 104678464) is 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide is NCC1(CC(=O)NCC2CCCS2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is INPLLSNMJZQLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c15-11-14(6-2-1-3-7-14)9-13(17)16-10-12-5-4-8-18-12/h12H,1-11,15H2,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 270.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 104678464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).