2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

C13H25NO2S — CID 115760027

IUPAC2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)CSC(C)(C)C
InChIInChI=1S/C13H25NO2S/c1-12(2,3)17-9-11(15)14(4)10-13(16)7-5-6-8-13/h16H,5-10H2,1-4H3
InChIKeyNROFMVXZJLAHPG-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.28
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 115760027) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID115760027
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCN(CC1(O)CCCC1)C(=O)CSC(C)(C)C
InChIInChI=1S/C13H25NO2S/c1-12(2,3)17-9-11(15)14(4)10-13(16)7-5-6-8-13/h16H,5-10H2,1-4H3
InChIKeyNROFMVXZJLAHPG-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2-propan-2-ylsulfanylacetamide
CID 115760042
2-[acetyl(methyl)amino]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759885
1-[(2-tert-butylsulfanylacetyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539611
2-(2-fluorophenyl)sulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759779
3-chloro-N-[(1-hydroxycyclopentyl)methyl]-N,2,2-trimethylpropanamide
CID 114948691
5-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N-methylpentanamide
CID 114953852
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 115760608
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]-2-oxoethoxy]acetic acid
CID 114948607
2-tert-butylsulfanyl-N-methyl-N-(2-methylpropyl)acetamide
CID 78853282
4-cyclohexyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylbutanamide
CID 115759935
2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 114037872
2-(aminomethyl)-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbutanamide
CID 114948724

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 115760027) is 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is CN(CC1(O)CCCC1)C(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is NROFMVXZJLAHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-12(2,3)17-9-11(15)14(4)10-13(16)7-5-6-8-13/h16H,5-10H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 259.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115760027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).