2-[4-methylpentyl(propyl)amino]ethanethioamide

C11H24N2S — CID 83156045

IUPAC2-[4-methylpentyl(propyl)amino]ethanethioamide
SMILESCCCN(CCCC(C)C)CC(N)=S
InChIInChI=1S/C11H24N2S/c1-4-7-13(9-11(12)14)8-5-6-10(2)3/h10H,4-9H2,1-3H3,(H2,12,14)
InChIKeyMJYPPSDLOWLEJY-UHFFFAOYSA-N
MW216.39 g/mol
LogP2.42
Rot. Bonds8

About 2-[4-methylpentyl(propyl)amino]ethanethioamide

2-[4-methylpentyl(propyl)amino]ethanethioamide (PubChem CID 83156045) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 2-[4-methylpentyl(propyl)amino]ethanethioamide.

Molecular Properties

Compound Name2-[4-methylpentyl(propyl)amino]ethanethioamide
PubChem CID83156045
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name2-[4-methylpentyl(propyl)amino]ethanethioamide
SMILESCCCN(CCCC(C)C)CC(N)=S
InChIInChI=1S/C11H24N2S/c1-4-7-13(9-11(12)14)8-5-6-10(2)3/h10H,4-9H2,1-3H3,(H2,12,14)
InChIKeyMJYPPSDLOWLEJY-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-methylpentyl(propyl)amino]ethanethioamide 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-[2-hydroxyethyl(propyl)amino]ethanethioamide
CID 61424622
3-[4-methylpentyl(2-methylpropyl)amino]propanethioamide
CID 83155682
15-methyl-N,N-dipropylhexadecan-1-amine
CID 139724040
7-methyl-N,N-dipropyloctan-1-amine
CID 140640733
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propylamino]ethanethioamide
CID 104563118
4-methyl-N-(4-methylpentyl)-N-pentylpentan-1-amine
CID 139723855
N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
N-(4-methylpentyl)-N-octyloctan-1-amine
CID 139723154
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
N,N,N',N'-tetrakis(4-methylpentyl)methanediamine
CID 135274412
[2-methylpropyl(propyl)amino]methanol
CID 54162178

Frequently Asked Questions

What is the IUPAC name of 2-[4-methylpentyl(propyl)amino]ethanethioamide?
The IUPAC name of 2-[4-methylpentyl(propyl)amino]ethanethioamide (CID 83156045) is 2-[4-methylpentyl(propyl)amino]ethanethioamide.
What is the SMILES notation for 2-[4-methylpentyl(propyl)amino]ethanethioamide?
The canonical SMILES for 2-[4-methylpentyl(propyl)amino]ethanethioamide is CCCN(CCCC(C)C)CC(N)=S.
What is the InChIKey of 2-[4-methylpentyl(propyl)amino]ethanethioamide?
The InChIKey is MJYPPSDLOWLEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-7-13(9-11(12)14)8-5-6-10(2)3/h10H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of 2-[4-methylpentyl(propyl)amino]ethanethioamide?
2-[4-methylpentyl(propyl)amino]ethanethioamide has a molecular weight of 216.39 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methylpentyl(propyl)amino]ethanethioamide is sourced from PubChem (CID 83156045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).