5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide

C13H28N2OS — CID 79380688

IUPAC5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
SMILESCCN(CCCC(C)(C)C(N)=S)CC(C)(C)O
InChIInChI=1S/C13H28N2OS/c1-6-15(10-13(4,5)16)9-7-8-12(2,3)11(14)17/h16H,6-10H2,1-5H3,(H2,14,17)
InChIKeyFMVVXKLXFGXTMC-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.17
Rot. Bonds8

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

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide (PubChem CID 79380688) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide.

Molecular Properties

Compound Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
PubChem CID79380688
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
SMILESCCN(CCCC(C)(C)C(N)=S)CC(C)(C)O
InChIInChI=1S/C13H28N2OS/c1-6-15(10-13(4,5)16)9-7-8-12(2,3)11(14)17/h16H,6-10H2,1-5H3,(H2,14,17)
InChIKeyFMVVXKLXFGXTMC-UHFFFAOYSA-N
XLogP2.17
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
CID 79381978
2,2-dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanethioamide
CID 65259742
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 65260345
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
5-(diethylamino)-2-methylpentan-2-ol
CID 14530143
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
CID 79047122
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
5-[ethyl(oxolan-2-ylmethyl)amino]-2,2-dimethylpentanethioamide
CID 65260037
1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol
CID 111462033
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
The IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide (CID 79380688) is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide.
What is the SMILES notation for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
The canonical SMILES for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide is CCN(CCCC(C)(C)C(N)=S)CC(C)(C)O.
What is the InChIKey of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
The InChIKey is FMVVXKLXFGXTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-6-15(10-13(4,5)16)9-7-8-12(2,3)11(14)17/h16H,6-10H2,1-5H3,(H2,14,17).
What are the key properties of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide?
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide has a molecular weight of 260.45 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide is sourced from PubChem (CID 79380688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).