2-decoxy-N-sulfanylacetamide

C12H25NO2S — CID 150404301

IUPAC2-decoxy-N-sulfanylacetamide
SMILESCCCCCCCCCCOCC(=O)NS
InChIInChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-10-15-11-12(14)13-16/h16H,2-11H2,1H3,(H,13,14)
InChIKeyHEKSBINQAQQTDD-UHFFFAOYSA-N
MW247.40 g/mol
LogP3.10
Rot. Bonds11

About 2-decoxy-N-sulfanylacetamide

2-decoxy-N-sulfanylacetamide (PubChem CID 150404301) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-decoxy-N-sulfanylacetamide.

Molecular Properties

Compound Name2-decoxy-N-sulfanylacetamide
PubChem CID150404301
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-decoxy-N-sulfanylacetamide
SMILESCCCCCCCCCCOCC(=O)NS
InChIInChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-10-15-11-12(14)13-16/h16H,2-11H2,1H3,(H,13,14)
InChIKeyHEKSBINQAQQTDD-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-decoxy-N-(1-hydroxyethyl)acetamide
CID 88812152
1-hexoxyundecan-2-one
CID 57063853
2-tridecoxyacetamide
CID 54483018
1-hexadecoxypropan-2-one
CID 15701879
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697
N-[(2R)-2-hydroxybutyl]-2-pentoxyacetamide
CID 126836522
sodium 2-(2-octadecoxyethoxy)acetate
CID 23688971
sodium 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 101104500
sodium 2-(2-hexadecoxyethoxy)acetate
CID 23688956

Frequently Asked Questions

What is the IUPAC name of 2-decoxy-N-sulfanylacetamide?
The IUPAC name of 2-decoxy-N-sulfanylacetamide (CID 150404301) is 2-decoxy-N-sulfanylacetamide.
What is the SMILES notation for 2-decoxy-N-sulfanylacetamide?
The canonical SMILES for 2-decoxy-N-sulfanylacetamide is CCCCCCCCCCOCC(=O)NS.
What is the InChIKey of 2-decoxy-N-sulfanylacetamide?
The InChIKey is HEKSBINQAQQTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-10-15-11-12(14)13-16/h16H,2-11H2,1H3,(H,13,14).
What are the key properties of 2-decoxy-N-sulfanylacetamide?
2-decoxy-N-sulfanylacetamide has a molecular weight of 247.40 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxy-N-sulfanylacetamide is sourced from PubChem (CID 150404301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).