N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide

C10H21NOS — CID 107031126

IUPACN-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
SMILESCCC(CC)(CC)NC(=O)C(C)S
InChIInChI=1S/C10H21NOS/c1-5-10(6-2,7-3)11-9(12)8(4)13/h8,13H,5-7H2,1-4H3,(H,11,12)
InChIKeyNQWYRDOXJWNPJF-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.39
Rot. Bonds5

About N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide

N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide (PubChem CID 107031126) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
PubChem CID107031126
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
SMILESCCC(CC)(CC)NC(=O)C(C)S
InChIInChI=1S/C10H21NOS/c1-5-10(6-2,7-3)11-9(12)8(4)13/h8,13H,5-7H2,1-4H3,(H,11,12)
InChIKeyNQWYRDOXJWNPJF-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.39
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

(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
CID 104903603
2-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107865103
2-bromo-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 107906051
2-methyl-2-(2-sulfanylpropanoylamino)propanoic acid
CID 89140497
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
N-(3-ethylpentan-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77055856
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
CID 103891023
N-hydroxy-2-sulfanylpropanamide
CID 20542834
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
CID 114315218
N-(3-ethylpentan-3-yl)-3-sulfanylpropanamide
CID 107031128
2-bromo-N-[3-(hydroxymethyl)pentan-3-yl]butanamide
CID 62856180
2-acetamido-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methylbutanamide
CID 114010724

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide (CID 107031126) is N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide is CCC(CC)(CC)NC(=O)C(C)S.
What is the InChIKey of N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide?
The InChIKey is NQWYRDOXJWNPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-5-10(6-2,7-3)11-9(12)8(4)13/h8,13H,5-7H2,1-4H3,(H,11,12).
What are the key properties of N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide?
N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide has a molecular weight of 203.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107031126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).