2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

C13H27NO2S — CID 113248427

IUPAC2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSC(C)(C)C
InChIInChI=1S/C13H27NO2S/c1-5-6-11(7-8-15)9-14-12(16)10-17-13(2,3)4/h11,15H,5-10H2,1-4H3,(H,14,16)
InChIKeyCVKZSXPCPMFRJV-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.43
Rot. Bonds8

About 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide

2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (PubChem CID 113248427) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
PubChem CID113248427
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
SMILESCCCC(CCO)CNC(=O)CSC(C)(C)C
InChIInChI=1S/C13H27NO2S/c1-5-6-11(7-8-15)9-14-12(16)10-17-13(2,3)4/h11,15H,5-10H2,1-4H3,(H,14,16)
InChIKeyCVKZSXPCPMFRJV-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-2-methylsulfanylacetamide
CID 103722907
3,3,3-trifluoro-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103725598
3-(tert-butylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 114145527
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
2-bromo-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 106114985
2-benzylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725476
2-(ethylamino)-N-[2-(2-hydroxyethyl)pentyl]-2-methylpropanamide
CID 114145534
3-(dimethylamino)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 103820610
(2R)-2-amino-N-[2-(2-hydroxyethyl)pentyl]-3,3-dimethylbutanamide
CID 106116615
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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide (CID 113248427) is 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is CCCC(CCO)CNC(=O)CSC(C)(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
The InChIKey is CVKZSXPCPMFRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-5-6-11(7-8-15)9-14-12(16)10-17-13(2,3)4/h11,15H,5-10H2,1-4H3,(H,14,16).
What are the key properties of 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide?
2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide has a molecular weight of 261.43 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[2-(2-hydroxyethyl)pentyl]acetamide is sourced from PubChem (CID 113248427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).