N-[2-(2-methylpropylsulfanyl)ethyl]acetamide

C8H17NOS — CID 146329372

IUPACN-[2-(2-methylpropylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSCC(C)C
InChIInChI=1S/C8H17NOS/c1-7(2)6-11-5-4-9-8(3)10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyCZJHVPJRJUNCDF-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.51
Rot. Bonds5

About N-[2-(2-methylpropylsulfanyl)ethyl]acetamide

N-[2-(2-methylpropylsulfanyl)ethyl]acetamide (PubChem CID 146329372) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfanyl)ethyl]acetamide
PubChem CID146329372
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-[2-(2-methylpropylsulfanyl)ethyl]acetamide
SMILESCC(=O)NCCSCC(C)C
InChIInChI=1S/C8H17NOS/c1-7(2)6-11-5-4-9-8(3)10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyCZJHVPJRJUNCDF-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.51
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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Related Compounds

(2S)-N-(2-acetamidoethylsulfanylmethyl)-2-aminopropanamide
CID 167237972
2-[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 115731527
S-(2-acetamidoethyl) (213C)ethanethioate
CID 46188004
3-methyl-N-[2-[3-(2-methylpropylsulfanyl)propanoylamino]ethyl]butanamide
CID 166977554
N-[2-[2-(methylamino)ethyldisulfanyl]ethyl]acetamide
CID 87109583
2-[ethyl-[3-[2-(2-methylpropylsulfanyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122007958
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
5-(2-methylpropylsulfanyl)pentanoic acid
CID 28982152
N-(3-acetamidopropyl)acetamide
CID 5147555
ethane;N-(2-methylpropyl)acetamide
CID 142232237
4-methyl-N-[2-(2-methylpropylsulfanyl)ethyl]pentan-1-amine
CID 62579266
N-(4-methyl-3-oxopentyl)acetamide
CID 20600831

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfanyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-methylpropylsulfanyl)ethyl]acetamide (CID 146329372) is N-[2-(2-methylpropylsulfanyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-methylpropylsulfanyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-methylpropylsulfanyl)ethyl]acetamide is CC(=O)NCCSCC(C)C.
What is the InChIKey of N-[2-(2-methylpropylsulfanyl)ethyl]acetamide?
The InChIKey is CZJHVPJRJUNCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-7(2)6-11-5-4-9-8(3)10/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-[2-(2-methylpropylsulfanyl)ethyl]acetamide?
N-[2-(2-methylpropylsulfanyl)ethyl]acetamide has a molecular weight of 175.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 146329372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).