4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide

C12H20N2S2 — CID 79476073

IUPAC4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
SMILESCC(Cc1cccs1)N(C)CCCC(N)=S
InChIInChI=1S/C12H20N2S2/c1-10(9-11-5-4-8-16-11)14(2)7-3-6-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,13,15)
InChIKeyCKKUUBNOXHNZHX-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.68
Rot. Bonds7

About 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide (PubChem CID 79476073) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide.

Molecular Properties

Compound Name4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
PubChem CID79476073
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
SMILESCC(Cc1cccs1)N(C)CCCC(N)=S
InChIInChI=1S/C12H20N2S2/c1-10(9-11-5-4-8-16-11)14(2)7-3-6-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,13,15)
InChIKeyCKKUUBNOXHNZHX-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanimidamide
CID 79476012
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
N'-hydroxy-2,2-dimethyl-5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentanimidamide
CID 79493840
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide?
The IUPAC name of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide (CID 79476073) is 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide.
What is the SMILES notation for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide?
The canonical SMILES for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide is CC(Cc1cccs1)N(C)CCCC(N)=S.
What is the InChIKey of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide?
The InChIKey is CKKUUBNOXHNZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-10(9-11-5-4-8-16-11)14(2)7-3-6-12(13)15/h4-5,8,10H,3,6-7,9H2,1-2H3,(H2,13,15).
What are the key properties of 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide?
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide has a molecular weight of 256.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide is sourced from PubChem (CID 79476073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).