4-chloro-N-(2-ethylsulfanylethyl)butanamide

C8H16ClNOS — CID 82109496

IUPAC4-chloro-N-(2-ethylsulfanylethyl)butanamide
SMILESCCSCCNC(=O)CCCCl
InChIInChI=1S/C8H16ClNOS/c1-2-12-7-6-10-8(11)4-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyQMHGYIBRBWEOES-UHFFFAOYSA-N
MW209.74 g/mol
LogP1.87
Rot. Bonds7

About 4-chloro-N-(2-ethylsulfanylethyl)butanamide

4-chloro-N-(2-ethylsulfanylethyl)butanamide (PubChem CID 82109496) has the molecular formula C8H16ClNOS and a molecular weight of 209.74 g/mol. Its IUPAC name is 4-chloro-N-(2-ethylsulfanylethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethylsulfanylethyl)butanamide
PubChem CID82109496
Molecular FormulaC8H16ClNOS
Molecular Weight209.74 g/mol
Exact Mass209.06
IUPAC Name4-chloro-N-(2-ethylsulfanylethyl)butanamide
SMILESCCSCCNC(=O)CCCCl
InChIInChI=1S/C8H16ClNOS/c1-2-12-7-6-10-8(11)4-3-5-9/h2-7H2,1H3,(H,10,11)
InChIKeyQMHGYIBRBWEOES-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.74
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-ethylsulfanylethyl)acetamide
CID 82110577
N-(2-ethylsulfanylethyl)-3-(methylamino)propanamide
CID 146646964
N-butyl-4-chlorobutanamide
CID 4218503
N-(3-ethylsulfanylpropyl)octadecanamide
CID 140994811
N-butyl-5-chloropentanamide
CID 28733165
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
N-[2-(4-chlorobutanoylamino)ethyl]-2-ethylbutanamide
CID 108573864
N-(3-chloropropyl)dodecanamide
CID 17164369
N-[2-[2-[2-(tert-butylamino)ethylsulfanyl]ethylsulfanyl]ethyl]pentanamide
CID 134182160
N-[2-(3-chloropropanoylamino)ethyl]pentanamide
CID 108573823
5-chloro-N-nonylpentanamide
CID 91692760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethylsulfanylethyl)butanamide?
The IUPAC name of 4-chloro-N-(2-ethylsulfanylethyl)butanamide (CID 82109496) is 4-chloro-N-(2-ethylsulfanylethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2-ethylsulfanylethyl)butanamide?
The canonical SMILES for 4-chloro-N-(2-ethylsulfanylethyl)butanamide is CCSCCNC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(2-ethylsulfanylethyl)butanamide?
The InChIKey is QMHGYIBRBWEOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNOS/c1-2-12-7-6-10-8(11)4-3-5-9/h2-7H2,1H3,(H,10,11).
What are the key properties of 4-chloro-N-(2-ethylsulfanylethyl)butanamide?
4-chloro-N-(2-ethylsulfanylethyl)butanamide has a molecular weight of 209.74 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethylsulfanylethyl)butanamide is sourced from PubChem (CID 82109496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).