N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide

C12H23NO2S — CID 65114184

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)16-8-11(14)13-9-12(15)6-4-3-5-7-12/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyAVGBARXDDXBYRM-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.94
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide

N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide (PubChem CID 65114184) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide
PubChem CID65114184
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO2S/c1-10(2)16-8-11(14)13-9-12(15)6-4-3-5-7-12/h10,15H,3-9H2,1-2H3,(H,13,14)
InChIKeyAVGBARXDDXBYRM-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide (CID 65114184) is N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide?
The InChIKey is AVGBARXDDXBYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-10(2)16-8-11(14)13-9-12(15)6-4-3-5-7-12/h10,15H,3-9H2,1-2H3,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide has a molecular weight of 245.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 65114184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).