2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide

C13H24N2OS — CID 113487601

IUPAC2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide
SMILESNC1(CC(=O)NCC2CCSCC2)CCCC1
InChIInChI=1S/C13H24N2OS/c14-13(5-1-2-6-13)9-12(16)15-10-11-3-7-17-8-4-11/h11H,1-10,14H2,(H,15,16)
InChIKeyLWGHMRMAWBRUNK-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.91
Rot. Bonds4

About 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide

2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide (PubChem CID 113487601) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide
PubChem CID113487601
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide
SMILESNC1(CC(=O)NCC2CCSCC2)CCCC1
InChIInChI=1S/C13H24N2OS/c14-13(5-1-2-6-13)9-12(16)15-10-11-3-7-17-8-4-11/h11H,1-10,14H2,(H,15,16)
InChIKeyLWGHMRMAWBRUNK-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide (CID 113487601) is 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide is NC1(CC(=O)NCC2CCSCC2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide?
The InChIKey is LWGHMRMAWBRUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-13(5-1-2-6-13)9-12(16)15-10-11-3-7-17-8-4-11/h11H,1-10,14H2,(H,15,16).
What are the key properties of 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide?
2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide has a molecular weight of 256.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(thian-4-ylmethyl)acetamide is sourced from PubChem (CID 113487601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).