N-(2-ethylsulfanylethyl)-2-methylpropanamide

C8H17NOS — CID 22954093

IUPACN-(2-ethylsulfanylethyl)-2-methylpropanamide
SMILESCCSCCNC(=O)C(C)C
InChIInChI=1S/C8H17NOS/c1-4-11-6-5-9-8(10)7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyXDHXVUUWVPZCLP-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.51
Rot. Bonds5

About N-(2-ethylsulfanylethyl)-2-methylpropanamide

N-(2-ethylsulfanylethyl)-2-methylpropanamide (PubChem CID 22954093) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2-methylpropanamide
PubChem CID22954093
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-(2-ethylsulfanylethyl)-2-methylpropanamide
SMILESCCSCCNC(=O)C(C)C
InChIInChI=1S/C8H17NOS/c1-4-11-6-5-9-8(10)7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyXDHXVUUWVPZCLP-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

2,2-Dimethyl-3-thiomorpholinone
CID 95098
3-Thiomorpholinone, 2-methyl-
CID 95528
3,3'-thiobis[N-(sec-butyl)propanamide]
CID 2931410
N-[2-(methylthio)ethyl]butanamide
CID 2245988
Propanamide, N-[2-(hexylthio)ethyl]-
CID 113635
3,3'-thiobis[N-(3-methylbutyl)propanamide]
CID 2932047
Potassium 2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylacetate
CID 137658222
N,N'-(thiodi-2,1-ethanediyl)diacetamide
CID 2053712
N-butyl-2-methyl-3-sulfanylpropanamide
CID 72947095
Propionamide, N,2-dimethyl-2-isopropylthio-
CID 3051481
3-(2-amino-2-oxoethyl)sulfanyl-N-(cyclopropylmethyl)propanamide
CID 47023340
(2S)-2-methyl-N-(2-methylsulfanylethyl)-3-sulfanylpropanamide
CID 72947096

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2-methylpropanamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-2-methylpropanamide (CID 22954093) is N-(2-ethylsulfanylethyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2-methylpropanamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2-methylpropanamide is CCSCCNC(=O)C(C)C.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2-methylpropanamide?
The InChIKey is XDHXVUUWVPZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-11-6-5-9-8(10)7(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(2-ethylsulfanylethyl)-2-methylpropanamide?
N-(2-ethylsulfanylethyl)-2-methylpropanamide 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-ethylsulfanylethyl)-2-methylpropanamide is sourced from PubChem (CID 22954093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).