2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide

C14H28N2OS — CID 66217378

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(CN)SCC(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C14H28N2OS/c1-11(2)16(13-7-5-4-6-8-13)14(17)10-18-12(3)9-15/h11-13H,4-10,15H2,1-3H3
InChIKeyDJLZNZKQWRNHPL-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.64
Rot. Bonds6

About 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide

2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide (PubChem CID 66217378) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide
PubChem CID66217378
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide
SMILESCC(CN)SCC(=O)N(C(C)C)C1CCCCC1
InChIInChI=1S/C14H28N2OS/c1-11(2)16(13-7-5-4-6-8-13)14(17)10-18-12(3)9-15/h11-13H,4-10,15H2,1-3H3
InChIKeyDJLZNZKQWRNHPL-UHFFFAOYSA-N
XLogP2.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide (CID 66217378) is 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide is CC(CN)SCC(=O)N(C(C)C)C1CCCCC1.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide?
The InChIKey is DJLZNZKQWRNHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11(2)16(13-7-5-4-6-8-13)14(17)10-18-12(3)9-15/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide has a molecular weight of 272.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-N-cyclohexyl-N-propan-2-ylacetamide is sourced from PubChem (CID 66217378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).