2-[methyl(2-methylbutan-2-yl)amino]propanethioamide

C9H20N2S — CID 63983607

IUPAC2-[methyl(2-methylbutan-2-yl)amino]propanethioamide
SMILESCCC(C)(C)N(C)C(C)C(N)=S
InChIInChI=1S/C9H20N2S/c1-6-9(3,4)11(5)7(2)8(10)12/h7H,6H2,1-5H3,(H2,10,12)
InChIKeyHWELIUVVTNJLIQ-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.78
Rot. Bonds4

About 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide

2-[methyl(2-methylbutan-2-yl)amino]propanethioamide (PubChem CID 63983607) has the molecular formula C9H20N2S and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide.

Molecular Properties

Compound Name2-[methyl(2-methylbutan-2-yl)amino]propanethioamide
PubChem CID63983607
Molecular FormulaC9H20N2S
Molecular Weight188.34 g/mol
Exact Mass188.13
IUPAC Name2-[methyl(2-methylbutan-2-yl)amino]propanethioamide
SMILESCCC(C)(C)N(C)C(C)C(N)=S
InChIInChI=1S/C9H20N2S/c1-6-9(3,4)11(5)7(2)8(10)12/h7H,6H2,1-5H3,(H2,10,12)
InChIKeyHWELIUVVTNJLIQ-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 63981250
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanethioamide
CID 79380798
N,4-dimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 170075954
3-[methyl(2-methylbutan-2-yl)amino]propanethioamide
CID 63983386
2-[bis(3-methylbutyl)amino]propanethioamide
CID 107869869
2-[methyl(2-methylbutan-2-yl)amino]butanimidamide
CID 63981285
3-[(1-amino-1-sulfanylidenepropan-2-yl)-methylamino]-2,2-dimethylpropanoic acid
CID 79624001
1-(4-chlorophenyl)-2-[methyl(2-methylbutan-2-yl)amino]propan-1-one
CID 63964851
2,2-dimethyl-4-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 65248584
3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
CID 63982121
N-methyl-N-(2-methylbutan-2-yl)heptan-2-amine
CID 123293634
3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982622

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide?
The IUPAC name of 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide (CID 63983607) is 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide.
What is the SMILES notation for 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide?
The canonical SMILES for 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide is CCC(C)(C)N(C)C(C)C(N)=S.
What is the InChIKey of 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide?
The InChIKey is HWELIUVVTNJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S/c1-6-9(3,4)11(5)7(2)8(10)12/h7H,6H2,1-5H3,(H2,10,12).
What are the key properties of 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide?
2-[methyl(2-methylbutan-2-yl)amino]propanethioamide has a molecular weight of 188.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylbutan-2-yl)amino]propanethioamide is sourced from PubChem (CID 63983607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).