N-(2-ethylsulfanylethyl)-2-methylbutanamide

C9H19NOS — CID 59245515

IUPACN-(2-ethylsulfanylethyl)-2-methylbutanamide
SMILESCCSCCNC(=O)C(C)CC
InChIInChI=1S/C9H19NOS/c1-4-8(3)9(11)10-6-7-12-5-2/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyNMCYEUHUYKRUEF-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.90
Rot. Bonds6

About N-(2-ethylsulfanylethyl)-2-methylbutanamide

N-(2-ethylsulfanylethyl)-2-methylbutanamide (PubChem CID 59245515) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2-methylbutanamide
PubChem CID59245515
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-(2-ethylsulfanylethyl)-2-methylbutanamide
SMILESCCSCCNC(=O)C(C)CC
InChIInChI=1S/C9H19NOS/c1-4-8(3)9(11)10-6-7-12-5-2/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyNMCYEUHUYKRUEF-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2-methylbutanamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-2-methylbutanamide (CID 59245515) is N-(2-ethylsulfanylethyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2-methylbutanamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2-methylbutanamide is CCSCCNC(=O)C(C)CC.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2-methylbutanamide?
The InChIKey is NMCYEUHUYKRUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-4-8(3)9(11)10-6-7-12-5-2/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-(2-ethylsulfanylethyl)-2-methylbutanamide?
N-(2-ethylsulfanylethyl)-2-methylbutanamide has a molecular weight of 189.32 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2-methylbutanamide is sourced from PubChem (CID 59245515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).