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

C15H28N2OS — CID 104678465

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide
SMILESNCC1(CC(=O)NCC2CCCCS2)CCCCC1
InChIInChI=1S/C15H28N2OS/c16-12-15(7-3-1-4-8-15)10-14(18)17-11-13-6-2-5-9-19-13/h13H,1-12,16H2,(H,17,18)
InChIKeyXKWPVEAZHMVCOL-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.69
Rot. Bonds5

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

2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide (PubChem CID 104678465) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide
PubChem CID104678465
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide
SMILESNCC1(CC(=O)NCC2CCCCS2)CCCCC1
InChIInChI=1S/C15H28N2OS/c16-12-15(7-3-1-4-8-15)10-14(18)17-11-13-6-2-5-9-19-13/h13H,1-12,16H2,(H,17,18)
InChIKeyXKWPVEAZHMVCOL-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.69
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-(thian-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide (CID 104678465) is 2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide is NCC1(CC(=O)NCC2CCCCS2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide?
The InChIKey is XKWPVEAZHMVCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c16-12-15(7-3-1-4-8-15)10-14(18)17-11-13-6-2-5-9-19-13/h13H,1-12,16H2,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(thian-2-ylmethyl)acetamide has a molecular weight of 284.47 g/mol, XLogP of 2.69, 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-(thian-2-ylmethyl)acetamide is sourced from PubChem (CID 104678465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).