2-ethyl-2-[methyl(sulfanyl)amino]pentanal

C8H17NOS — CID 134344834

IUPAC2-ethyl-2-[methyl(sulfanyl)amino]pentanal
SMILESCCCC(C=O)(CC)N(C)S
InChIInChI=1S/C8H17NOS/c1-4-6-8(5-2,7-10)9(3)11/h7,11H,4-6H2,1-3H3
InChIKeyPRELZXPKTGRFHF-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.91
Rot. Bonds5

About 2-ethyl-2-[methyl(sulfanyl)amino]pentanal

2-ethyl-2-[methyl(sulfanyl)amino]pentanal (PubChem CID 134344834) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 2-ethyl-2-[methyl(sulfanyl)amino]pentanal.

Molecular Properties

Compound Name2-ethyl-2-[methyl(sulfanyl)amino]pentanal
PubChem CID134344834
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name2-ethyl-2-[methyl(sulfanyl)amino]pentanal
SMILESCCCC(C=O)(CC)N(C)S
InChIInChI=1S/C8H17NOS/c1-4-6-8(5-2,7-10)9(3)11/h7,11H,4-6H2,1-3H3
InChIKeyPRELZXPKTGRFHF-UHFFFAOYSA-N
XLogP1.91
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-ethyl-2-[methyl(sulfanyl)amino]pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-propylpentanal
CID 12587446
2-methyl-2-propylpropanedial
CID 87392571
2-methyl-2-sulfanylhexanal
CID 88843028
2-methyl-2-phosphanylpentanal
CID 145198471
2-ethyl-2-(hydroxymethyl)pentanal
CID 19088220
2,2-di(propan-2-yl)pentanal
CID 90416736
2-amino-2-(dimethylamino)butanal
CID 87544276
2-methyl-2-sulfanyldecanal
CID 154228508
2-(hydroxymethyl)-2-propylpentanal
CID 90738055
3,3-bis(sulfanyl)hexanal
CID 87637849
2-ethyl-2-[formyl(methyl)amino]hexanoic acid
CID 63950848
2,2,3,3-tetraethylbutanedial
CID 154181619

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[methyl(sulfanyl)amino]pentanal?
The IUPAC name of 2-ethyl-2-[methyl(sulfanyl)amino]pentanal (CID 134344834) is 2-ethyl-2-[methyl(sulfanyl)amino]pentanal.
What is the SMILES notation for 2-ethyl-2-[methyl(sulfanyl)amino]pentanal?
The canonical SMILES for 2-ethyl-2-[methyl(sulfanyl)amino]pentanal is CCCC(C=O)(CC)N(C)S.
What is the InChIKey of 2-ethyl-2-[methyl(sulfanyl)amino]pentanal?
The InChIKey is PRELZXPKTGRFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-4-6-8(5-2,7-10)9(3)11/h7,11H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-2-[methyl(sulfanyl)amino]pentanal?
2-ethyl-2-[methyl(sulfanyl)amino]pentanal has a molecular weight of 175.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[methyl(sulfanyl)amino]pentanal is sourced from PubChem (CID 134344834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).