2-butylsulfanyl-N-(3-hydroxypropyl)acetamide

C9H19NO2S — CID 43417537

IUPAC2-butylsulfanyl-N-(3-hydroxypropyl)acetamide
SMILESCCCCSCC(=O)NCCCO
InChIInChI=1S/C9H19NO2S/c1-2-3-7-13-8-9(12)10-5-4-6-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyUUIKLLPKPJUGCH-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.02
Rot. Bonds8

About 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide

2-butylsulfanyl-N-(3-hydroxypropyl)acetamide (PubChem CID 43417537) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(3-hydroxypropyl)acetamide
PubChem CID43417537
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-butylsulfanyl-N-(3-hydroxypropyl)acetamide
SMILESCCCCSCC(=O)NCCCO
InChIInChI=1S/C9H19NO2S/c1-2-3-7-13-8-9(12)10-5-4-6-11/h11H,2-8H2,1H3,(H,10,12)
InChIKeyUUIKLLPKPJUGCH-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxybutan-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65418381
3,3,3-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103800783
2-butylsulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857117
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-ylsulfanylacetamide
CID 104857162
N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 104857163
3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104857222
N-(2,2-difluoro-3-hydroxypropyl)-3-methylsulfanylpropanamide
CID 104857576
N-(2,2-difluoro-3-hydroxypropyl)-2-methylsulfanylacetamide
CID 104858041
2-tert-butylsulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858283
N-(3-hydroxypropyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109885944
N-(3-hydroxy-2-methylpropyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109887579
2-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 109928360

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide (CID 43417537) is 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide is CCCCSCC(=O)NCCCO.
What is the InChIKey of 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is UUIKLLPKPJUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-7-13-8-9(12)10-5-4-6-11/h11H,2-8H2,1H3,(H,10,12).
What are the key properties of 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide?
2-butylsulfanyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 205.32 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 43417537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).