3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide

C10H21NOS — CID 89042102

IUPAC3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide
SMILESCCC(C)(CC)CC(=O)NCCS
InChIInChI=1S/C10H21NOS/c1-4-10(3,5-2)8-9(12)11-6-7-13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyJRDHTTRXCOHBKB-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.25
Rot. Bonds6

About 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide

3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide (PubChem CID 89042102) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide.

Molecular Properties

Compound Name3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide
PubChem CID89042102
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide
SMILESCCC(C)(CC)CC(=O)NCCS
InChIInChI=1S/C10H21NOS/c1-4-10(3,5-2)8-9(12)11-6-7-13/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyJRDHTTRXCOHBKB-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]pentanamide
CID 123282459
N-(2-sulfanylethyl)octanamide
CID 521749
N-(2-hydroxyethyl)-N'-(2-sulfanylethyl)propanediamide
CID 19607288
2-methyl-2-[[2-methyl-1-oxo-1-(2-sulfanylethylamino)propan-2-yl]diazenyl]-N-(2-sulfanylethyl)propanamide
CID 21397036
1-N,2-N,3-N-tris(2-sulfanylethyl)propane-1,2,3-tricarboxamide
CID 10132786
CID 155068879
CID 155068879
2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide;sulfane
CID 130431622
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
2-phosphanyloxy-N-(2-sulfanylethyl)acetamide
CID 59364582
N'-(2-sulfanylethyl)butanediamide
CID 15293890
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
N-(3-methoxypropyl)-3,3-dimethylpentanamide
CID 130272308

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide?
The IUPAC name of 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide (CID 89042102) is 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide.
What is the SMILES notation for 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide?
The canonical SMILES for 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide is CCC(C)(CC)CC(=O)NCCS.
What is the InChIKey of 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide?
The InChIKey is JRDHTTRXCOHBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-10(3,5-2)8-9(12)11-6-7-13/h13H,4-8H2,1-3H3,(H,11,12).
What are the key properties of 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide?
3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide has a molecular weight of 203.35 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-N-(2-sulfanylethyl)pentanamide is sourced from PubChem (CID 89042102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).