5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide

C15H32N2S — CID 65260345

IUPAC5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
SMILESCC(C)CN(CCCC(C)(C)C(N)=S)CC(C)C
InChIInChI=1S/C15H32N2S/c1-12(2)10-17(11-13(3)4)9-7-8-15(5,6)14(16)18/h12-13H,7-11H2,1-6H3,(H2,16,18)
InChIKeyFMKQGWHUEMZJBU-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.69
Rot. Bonds9

About 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide

5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide (PubChem CID 65260345) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide.

Molecular Properties

Compound Name5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
PubChem CID65260345
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC Name5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
SMILESCC(C)CN(CCCC(C)(C)C(N)=S)CC(C)C
InChIInChI=1S/C15H32N2S/c1-12(2)10-17(11-13(3)4)9-7-8-15(5,6)14(16)18/h12-13H,7-11H2,1-6H3,(H2,16,18)
InChIKeyFMKQGWHUEMZJBU-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.69
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

2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide
CID 65260199
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
1-amino-5-[bis(2-methylpropyl)amino]-2-methylpentan-2-ol
CID 64820002
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 65259742
5-[5-hydroxypentyl(methyl)amino]-2,2-dimethylpentanethioamide
CID 107199838
4-[bis(2-methylpropyl)amino]-2-methylbutan-2-ol
CID 79326254
4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852
3-[4-methylpentyl(2-methylpropyl)amino]propanethioamide
CID 83155682
2,2,4-trimethylpentanethioamide
CID 126620843
4-[butan-2-yl(butyl)amino]-2,2-dimethylbutanethioamide
CID 65249143
4-[butan-2-yl(ethyl)amino]-2,2-dimethylbutanethioamide
CID 65246972

Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
The IUPAC name of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide (CID 65260345) is 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide.
What is the SMILES notation for 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
The canonical SMILES for 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide is CC(C)CN(CCCC(C)(C)C(N)=S)CC(C)C.
What is the InChIKey of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
The InChIKey is FMKQGWHUEMZJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-12(2)10-17(11-13(3)4)9-7-8-15(5,6)14(16)18/h12-13H,7-11H2,1-6H3,(H2,16,18).
What are the key properties of 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide has a molecular weight of 272.50 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide is sourced from PubChem (CID 65260345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).