N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide

C10H21NO2S — CID 103722907

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
SMILESCCCC(CCO)CNC(=O)CSC
InChIInChI=1S/C10H21NO2S/c1-3-4-9(5-6-12)7-11-10(13)8-14-2/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyPBVJXYSKWPNFGC-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.26
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide

N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide (PubChem CID 103722907) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
PubChem CID103722907
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
SMILESCCCC(CCO)CNC(=O)CSC
InChIInChI=1S/C10H21NO2S/c1-3-4-9(5-6-12)7-11-10(13)8-14-2/h9,12H,3-8H2,1-2H3,(H,11,13)
InChIKeyPBVJXYSKWPNFGC-UHFFFAOYSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 113248427
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
N-[2-(2-hydroxyethyl)pentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103725615
2-(2-chlorophenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725645
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725594
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4-methylpentanamide
CID 106116641
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
2-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103722752

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide (CID 103722907) is N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide is CCCC(CCO)CNC(=O)CSC.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide?
The InChIKey is PBVJXYSKWPNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-3-4-9(5-6-12)7-11-10(13)8-14-2/h9,12H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide?
N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide has a molecular weight of 219.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 103722907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).