2-pentylsulfinylnonanamide

C14H29NO2S — CID 87719790

IUPAC2-pentylsulfinylnonanamide
SMILESCCCCCCCC(C(N)=O)S(=O)CCCCC
InChIInChI=1S/C14H29NO2S/c1-3-5-7-8-9-11-13(14(15)16)18(17)12-10-6-4-2/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyNGTOXOKYAIBJOY-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.14
Rot. Bonds12

About 2-pentylsulfinylnonanamide

2-pentylsulfinylnonanamide (PubChem CID 87719790) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-pentylsulfinylnonanamide.

Molecular Properties

Compound Name2-pentylsulfinylnonanamide
PubChem CID87719790
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-pentylsulfinylnonanamide
SMILESCCCCCCCC(C(N)=O)S(=O)CCCCC
InChIInChI=1S/C14H29NO2S/c1-3-5-7-8-9-11-13(14(15)16)18(17)12-10-6-4-2/h13H,3-12H2,1-2H3,(H2,15,16)
InChIKeyNGTOXOKYAIBJOY-UHFFFAOYSA-N
XLogP3.14
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pentylsulfinylnonanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-octylsulfinylbutanoic acid
CID 105355416
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
3-tridecylsulfinyldecan-2-ol
CID 173314811
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-hydroxyoctadecanamide
CID 14598043
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
2-carbamoylhexadecanoic acid
CID 172818471
2-aminododecanamide;hydrochloride
CID 14881390
2-iodododecanamide
CID 57350654

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfinylnonanamide?
The IUPAC name of 2-pentylsulfinylnonanamide (CID 87719790) is 2-pentylsulfinylnonanamide.
What is the SMILES notation for 2-pentylsulfinylnonanamide?
The canonical SMILES for 2-pentylsulfinylnonanamide is CCCCCCCC(C(N)=O)S(=O)CCCCC.
What is the InChIKey of 2-pentylsulfinylnonanamide?
The InChIKey is NGTOXOKYAIBJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-3-5-7-8-9-11-13(14(15)16)18(17)12-10-6-4-2/h13H,3-12H2,1-2H3,(H2,15,16).
What are the key properties of 2-pentylsulfinylnonanamide?
2-pentylsulfinylnonanamide has a molecular weight of 275.46 g/mol, XLogP of 3.14, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfinylnonanamide is sourced from PubChem (CID 87719790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).